id	sid	tid	token	lemma	pos
eurjchem-2275	1	1	molecular	molecular	ADJ
eurjchem-2275	1	2	dynamics	dynamic	NOUN
eurjchem-2275	1	3	of	of	ADP
eurjchem-2275	1	4	fibric	fibric	ADJ
eurjchem-2275	1	5	acids	acids	ADJ
eurjchem-2275	1	6	european	european	PROPN
eurjchem-2275	1	7	journal	journal	PROPN
eurjchem-2275	1	8	of	of	ADP
eurjchem-2275	1	9	chemistry	chemistry	NOUN
eurjchem-2275	1	10	13	13	NUM
eurjchem-2275	1	11	(	(	PUNCT
eurjchem-2275	1	12	2	2	NUM
eurjchem-2275	1	13	)	)	PUNCT
eurjchem-2275	1	14	(	(	PUNCT
eurjchem-2275	1	15	2022	2022	NUM
eurjchem-2275	1	16	)	)	PUNCT
eurjchem-2275	1	17	186	186	NUM
eurjchem-2275	1	18	-	-	SYM
eurjchem-2275	1	19	195	195	NUM
eurjchem-2275	1	20	european	european	ADJ
eurjchem-2275	1	21	journal	journal	NOUN
eurjchem-2275	1	22	of	of	ADP
eurjchem-2275	1	23	chemistry	chemistry	NOUN
eurjchem-2275	1	24	issn	issn	VERB
eurjchem-2275	1	25	2153	2153	NUM
eurjchem-2275	1	26	-	-	SYM
eurjchem-2275	1	27	2249	2249	NUM
eurjchem-2275	1	28	(	(	PUNCT
eurjchem-2275	1	29	print	print	NOUN
eurjchem-2275	1	30	)	)	PUNCT
eurjchem-2275	1	31	/	/	PUNCT
eurjchem-2275	1	32	issn	issn	PROPN
eurjchem-2275	1	33	2153	2153	NUM
eurjchem-2275	1	34	-	-	SYM
eurjchem-2275	1	35	2257	2257	NUM
eurjchem-2275	1	36	(	(	PUNCT
eurjchem-2275	1	37	online	online	ADJ
eurjchem-2275	1	38	)	)	PUNCT
eurjchem-2275	1	39	–	–	PUNCT
eurjchem-2275	2	1	copyright	copyright	NOUN
eurjchem-2275	2	2	©	©	PROPN
eurjchem-2275	2	3	2022	2022	NUM
eurjchem-2275	2	4	the	the	DET
eurjchem-2275	2	5	authors	author	NOUN
eurjchem-2275	2	6	–	–	PUNCT
eurjchem-2275	2	7	atlanta	atlanta	PROPN
eurjchem-2275	2	8	publishing	publishing	PROPN
eurjchem-2275	2	9	house	house	PROPN
eurjchem-2275	2	10	llc	llc	PROPN
eurjchem-2275	2	11	–	–	PUNCT
eurjchem-2275	2	12	printed	print	VERB
eurjchem-2275	2	13	in	in	ADP
eurjchem-2275	2	14	the	the	DET
eurjchem-2275	2	15	usa	usa	PROPN
eurjchem-2275	2	16	.	.	PUNCT
eurjchem-2275	3	1	this	this	DET
eurjchem-2275	3	2	work	work	NOUN
eurjchem-2275	3	3	is	be	AUX
eurjchem-2275	3	4	published	publish	VERB
eurjchem-2275	3	5	and	and	CCONJ
eurjchem-2275	3	6	licensed	license	VERB
eurjchem-2275	3	7	by	by	ADP
eurjchem-2275	3	8	atlanta	atlanta	PROPN
eurjchem-2275	3	9	publishing	publishing	PROPN
eurjchem-2275	3	10	house	house	PROPN
eurjchem-2275	3	11	llc	llc	PROPN
eurjchem-2275	3	12	–	–	PUNCT
eurjchem-2275	3	13	cc	cc	PROPN
eurjchem-2275	3	14	by	by	ADP
eurjchem-2275	3	15	nc	nc	PROPN
eurjchem-2275	3	16	–	–	PUNCT
eurjchem-2275	3	17	some	some	DET
eurjchem-2275	3	18	rights	right	NOUN
eurjchem-2275	3	19	reserved	reserve	VERB
eurjchem-2275	3	20	.	.	PUNCT
eurjchem-2275	4	1	https://dx.doi.org/10.5155/eurjchem.13.2.186-195.2275	https://dx.doi.org/10.5155/eurjchem.13.2.186-195.2275	PROPN
eurjchem-2275	4	2	european	european	PROPN
eurjchem-2275	4	3	journal	journal	PROPN
eurjchem-2275	4	4	of	of	ADP
eurjchem-2275	4	5	chemistry	chemistry	NOUN
eurjchem-2275	4	6	view	view	NOUN
eurjchem-2275	4	7	journal	journal	PROPN
eurjchem-2275	4	8	online	online	PROPN
eurjchem-2275	4	9	view	view	NOUN
eurjchem-2275	4	10	article	article	NOUN
eurjchem-2275	4	11	online	online	VERB
eurjchem-2275	4	12	molecular	molecular	ADJ
eurjchem-2275	4	13	dynamics	dynamic	NOUN
eurjchem-2275	4	14	of	of	ADP
eurjchem-2275	4	15	fibric	fibric	ADJ
eurjchem-2275	4	16	acids	acid	NOUN
eurjchem-2275	4	17	chad	chad	PROPN
eurjchem-2275	4	18	miller	miller	PROPN
eurjchem-2275	4	19	,	,	PUNCT
eurjchem-2275	4	20	steven	steven	PROPN
eurjchem-2275	4	21	schildcrout	schildcrout	PROPN
eurjchem-2275	4	22	,	,	PUNCT
eurjchem-2275	4	23	howard	howard	PROPN
eurjchem-2275	4	24	mettee	mettee	PROPN
eurjchem-2275	4	25	,	,	PUNCT
eurjchem-2275	4	26	and	and	CCONJ
eurjchem-2275	4	27	ganesaratnam	ganesaratnam	PROPN
eurjchem-2275	4	28	balendiran	balendiran	PROPN
eurjchem-2275	4	29	*	*	PUNCT
eurjchem-2275	4	30	department	department	NOUN
eurjchem-2275	4	31	of	of	ADP
eurjchem-2275	4	32	chemistry	chemistry	NOUN
eurjchem-2275	4	33	,	,	PUNCT
eurjchem-2275	4	34	youngstown	youngstown	PROPN
eurjchem-2275	4	35	state	state	PROPN
eurjchem-2275	4	36	university	university	PROPN
eurjchem-2275	4	37	,	,	PUNCT
eurjchem-2275	4	38	youngstown	youngstown	PROPN
eurjchem-2275	4	39	,	,	PUNCT
eurjchem-2275	5	1	oh	oh	INTJ
eurjchem-2275	5	2	44555	44555	NUM
eurjchem-2275	5	3	,	,	PUNCT
eurjchem-2275	5	4	u.s.a	u.s.a	X
eurjchem-2275	5	5	.	.	PUNCT
eurjchem-2275	6	1	*	*	PUNCT
eurjchem-2275	6	2	corresponding	correspond	VERB
eurjchem-2275	6	3	author	author	NOUN
eurjchem-2275	6	4	at	at	ADP
eurjchem-2275	6	5	:	:	PUNCT
eurjchem-2275	6	6	department	department	NOUN
eurjchem-2275	6	7	of	of	ADP
eurjchem-2275	6	8	chemistry	chemistry	PROPN
eurjchem-2275	6	9	,	,	PUNCT
eurjchem-2275	6	10	youngstown	youngstown	PROPN
eurjchem-2275	6	11	state	state	PROPN
eurjchem-2275	6	12	university	university	PROPN
eurjchem-2275	6	13	,	,	PUNCT
eurjchem-2275	6	14	youngstown	youngstown	PROPN
eurjchem-2275	6	15	,	,	PUNCT
eurjchem-2275	6	16	oh	oh	INTJ
eurjchem-2275	6	17	44555	44555	NUM
eurjchem-2275	6	18	,	,	PUNCT
eurjchem-2275	6	19	u.s.a	u.s.a	X
eurjchem-2275	6	20	.	.	PUNCT
eurjchem-2275	7	1	e	e	X
eurjchem-2275	7	2	-	-	NOUN
eurjchem-2275	7	3	mail	mail	NOUN
eurjchem-2275	7	4	:	:	PUNCT
eurjchem-2275	7	5	gkbalendiran@ysu.edu	gkbalendiran@ysu.edu	PROPN
eurjchem-2275	7	6	(	(	PUNCT
eurjchem-2275	7	7	g.	g.	PROPN
eurjchem-2275	7	8	balendiran	balendiran	PROPN
eurjchem-2275	7	9	)	)	PUNCT
eurjchem-2275	7	10	.	.	PUNCT
eurjchem-2275	8	1	10.5155	10.5155	NUM
eurjchem-2275	8	2	/	/	SYM
eurjchem-2275	8	3	eurjchem.13.2.186	eurjchem.13.2.186	PROPN
eurjchem-2275	8	4	-	-	SYM
eurjchem-2275	8	5	195.2275	195.2275	NUM
eurjchem-2275	8	6	received	receive	VERB
eurjchem-2275	8	7	:	:	PUNCT
eurjchem-2275	8	8	17	17	NUM
eurjchem-2275	8	9	march	march	NOUN
eurjchem-2275	8	10	2022	2022	NUM
eurjchem-2275	8	11	received	receive	VERB
eurjchem-2275	8	12	in	in	ADP
eurjchem-2275	8	13	revised	revise	VERB
eurjchem-2275	8	14	form	form	NOUN
eurjchem-2275	8	15	:	:	PUNCT
eurjchem-2275	8	16	16	16	NUM
eurjchem-2275	8	17	april	april	PROPN
eurjchem-2275	8	18	2022	2022	NUM
eurjchem-2275	8	19	accepted	accept	VERB
eurjchem-2275	8	20	:	:	PUNCT
eurjchem-2275	8	21	22	22	NUM
eurjchem-2275	8	22	april	april	PROPN
eurjchem-2275	8	23	2022	2022	NUM
eurjchem-2275	8	24	published	publish	VERB
eurjchem-2275	8	25	online	online	ADV
eurjchem-2275	8	26	:	:	PUNCT
eurjchem-2275	8	27	30	30	NUM
eurjchem-2275	8	28	june	june	PROPN
eurjchem-2275	8	29	2022	2022	NUM
eurjchem-2275	8	30	printed	print	VERB
eurjchem-2275	8	31	:	:	PUNCT
eurjchem-2275	8	32	30	30	NUM
eurjchem-2275	8	33	june	june	PROPN
eurjchem-2275	8	34	2022	2022	NUM
eurjchem-2275	8	35	1hand	1hand	NUM
eurjchem-2275	8	36	13c	13c	NOUN
eurjchem-2275	8	37	-	-	ADJ
eurjchem-2275	8	38	nmr	nmr	ADJ
eurjchem-2275	8	39	chemical	chemical	NOUN
eurjchem-2275	8	40	shifts	shift	NOUN
eurjchem-2275	8	41	were	be	AUX
eurjchem-2275	8	42	measured	measure	VERB
eurjchem-2275	8	43	for	for	ADP
eurjchem-2275	8	44	four	four	NUM
eurjchem-2275	8	45	fibric	fibric	ADJ
eurjchem-2275	8	46	acids	acid	NOUN
eurjchem-2275	8	47	(	(	PUNCT
eurjchem-2275	8	48	bezafibrate	bezafibrate	NOUN
eurjchem-2275	8	49	,	,	PUNCT
eurjchem-2275	8	50	clofibric	clofibric	ADJ
eurjchem-2275	8	51	acid	acid	NOUN
eurjchem-2275	8	52	,	,	PUNCT
eurjchem-2275	8	53	fenofibric	fenofibric	NOUN
eurjchem-2275	8	54	acid	acid	NOUN
eurjchem-2275	8	55	,	,	PUNCT
eurjchem-2275	8	56	and	and	CCONJ
eurjchem-2275	8	57	gemfibrozil	gemfibrozil	PROPN
eurjchem-2275	8	58	)	)	PUNCT
eurjchem-2275	8	59	,	,	PUNCT
eurjchem-2275	8	60	which	which	PRON
eurjchem-2275	8	61	are	be	AUX
eurjchem-2275	8	62	lipid	lipid	NOUN
eurjchem-2275	8	63	-	-	PUNCT
eurjchem-2275	8	64	lowering	lower	VERB
eurjchem-2275	8	65	drugs	drug	NOUN
eurjchem-2275	8	66	.	.	PUNCT
eurjchem-2275	9	1	correlation	correlation	NOUN
eurjchem-2275	9	2	is	be	AUX
eurjchem-2275	9	3	found	find	VERB
eurjchem-2275	9	4	with	with	ADP
eurjchem-2275	9	5	dft	dft	NOUN
eurjchem-2275	9	6	-	-	PUNCT
eurjchem-2275	9	7	computed	compute	VERB
eurjchem-2275	9	8	chemical	chemical	NOUN
eurjchem-2275	9	9	shifts	shift	NOUN
eurjchem-2275	9	10	from	from	ADP
eurjchem-2275	9	11	the	the	DET
eurjchem-2275	9	12	conformational	conformational	ADJ
eurjchem-2275	9	13	analysis	analysis	NOUN
eurjchem-2275	9	14	.	.	PUNCT
eurjchem-2275	10	1	equilibrium	equilibrium	NOUN
eurjchem-2275	10	2	populations	population	NOUN
eurjchem-2275	10	3	of	of	ADP
eurjchem-2275	10	4	optimized	optimize	VERB
eurjchem-2275	10	5	conformers	conformer	NOUN
eurjchem-2275	10	6	at	at	ADP
eurjchem-2275	10	7	298	298	NUM
eurjchem-2275	10	8	k	k	NOUN
eurjchem-2275	10	9	are	be	AUX
eurjchem-2275	10	10	very	very	ADV
eurjchem-2275	10	11	different	different	ADJ
eurjchem-2275	10	12	when	when	SCONJ
eurjchem-2275	10	13	based	base	VERB
eurjchem-2275	10	14	on	on	ADP
eurjchem-2275	10	15	computed	compute	VERB
eurjchem-2275	10	16	gibbs	gibbs	PROPN
eurjchem-2275	10	17	energies	energy	NOUN
eurjchem-2275	10	18	rather	rather	ADV
eurjchem-2275	10	19	than	than	ADP
eurjchem-2275	10	20	on	on	ADP
eurjchem-2275	10	21	potential	potential	ADJ
eurjchem-2275	10	22	energies	energy	NOUN
eurjchem-2275	10	23	.	.	PUNCT
eurjchem-2275	11	1	this	this	PRON
eurjchem-2275	11	2	is	be	AUX
eurjchem-2275	11	3	due	due	ADJ
eurjchem-2275	11	4	to	to	ADP
eurjchem-2275	11	5	the	the	DET
eurjchem-2275	11	6	significant	significant	ADJ
eurjchem-2275	11	7	entropic	entropic	ADJ
eurjchem-2275	11	8	advantages	advantage	NOUN
eurjchem-2275	11	9	of	of	ADP
eurjchem-2275	11	10	extended	extended	ADJ
eurjchem-2275	11	11	rather	rather	ADV
eurjchem-2275	11	12	than	than	ADP
eurjchem-2275	11	13	bent	bent	ADJ
eurjchem-2275	11	14	conformational	conformational	ADJ
eurjchem-2275	11	15	shapes	shape	NOUN
eurjchem-2275	11	16	.	.	PUNCT
eurjchem-2275	12	1	abundant	abundant	ADJ
eurjchem-2275	12	2	conformers	conformer	NOUN
eurjchem-2275	12	3	with	with	ADP
eurjchem-2275	12	4	intramolecular	intramolecular	ADJ
eurjchem-2275	12	5	hydrogen	hydrogen	NOUN
eurjchem-2275	12	6	bonding	bonding	NOUN
eurjchem-2275	12	7	via	via	ADP
eurjchem-2275	12	8	five	five	NUM
eurjchem-2275	12	9	-	-	PUNCT
eurjchem-2275	12	10	member	member	NOUN
eurjchem-2275	12	11	rings	ring	NOUN
eurjchem-2275	12	12	are	be	AUX
eurjchem-2275	12	13	computed	compute	VERB
eurjchem-2275	12	14	for	for	ADP
eurjchem-2275	12	15	three	three	NUM
eurjchem-2275	12	16	fibric	fibric	ADJ
eurjchem-2275	12	17	acids	acid	NOUN
eurjchem-2275	12	18	,	,	PUNCT
eurjchem-2275	12	19	but	but	CCONJ
eurjchem-2275	12	20	not	not	PART
eurjchem-2275	12	21	gemfibrozil	gemfibrozil	NOUN
eurjchem-2275	12	22	,	,	PUNCT
eurjchem-2275	12	23	which	which	PRON
eurjchem-2275	12	24	lacks	lack	VERB
eurjchem-2275	12	25	suitable	suitable	ADJ
eurjchem-2275	12	26	connectivity	connectivity	NOUN
eurjchem-2275	12	27	of	of	ADP
eurjchem-2275	12	28	carboxyl	carboxyl	NOUN
eurjchem-2275	12	29	and	and	CCONJ
eurjchem-2275	12	30	phenoxy	phenoxy	ADJ
eurjchem-2275	12	31	groups	group	NOUN
eurjchem-2275	12	32	.	.	PUNCT
eurjchem-2275	13	1	trends	trend	NOUN
eurjchem-2275	13	2	in	in	ADP
eurjchem-2275	13	3	computed	compute	VERB
eurjchem-2275	13	4	atom	atom	NOUN
eurjchem-2275	13	5	-	-	PUNCT
eurjchem-2275	13	6	positional	positional	ADJ
eurjchem-2275	13	7	deviations	deviation	NOUN
eurjchem-2275	13	8	,	,	PUNCT
eurjchem-2275	13	9	molecular	molecular	ADJ
eurjchem-2275	13	10	volumes	volume	NOUN
eurjchem-2275	13	11	,	,	PUNCT
eurjchem-2275	13	12	surface	surface	NOUN
eurjchem-2275	13	13	areas	area	NOUN
eurjchem-2275	13	14	,	,	PUNCT
eurjchem-2275	13	15	and	and	CCONJ
eurjchem-2275	13	16	dipole	dipole	NOUN
eurjchem-2275	13	17	moments	moment	NOUN
eurjchem-2275	13	18	among	among	ADP
eurjchem-2275	13	19	the	the	DET
eurjchem-2275	13	20	fibric	fibric	ADJ
eurjchem-2275	13	21	acids	acid	NOUN
eurjchem-2275	13	22	and	and	CCONJ
eurjchem-2275	13	23	their	their	PRON
eurjchem-2275	13	24	constituent	constituent	ADJ
eurjchem-2275	13	25	conformations	conformation	NOUN
eurjchem-2275	13	26	indicate	indicate	VERB
eurjchem-2275	13	27	that	that	SCONJ
eurjchem-2275	13	28	bezafibrate	bezafibrate	NOUN
eurjchem-2275	13	29	has	have	VERB
eurjchem-2275	13	30	the	the	DET
eurjchem-2275	13	31	greatest	great	ADJ
eurjchem-2275	13	32	hydrophilicity	hydrophilicity	NOUN
eurjchem-2275	13	33	and	and	CCONJ
eurjchem-2275	13	34	fenofibric	fenofibric	NOUN
eurjchem-2275	13	35	acid	acid	NOUN
eurjchem-2275	13	36	has	have	VERB
eurjchem-2275	13	37	the	the	DET
eurjchem-2275	13	38	greatest	great	ADJ
eurjchem-2275	13	39	flexibility	flexibility	NOUN
eurjchem-2275	13	40	.	.	PUNCT
eurjchem-2275	14	1	theoretical	theoretical	ADJ
eurjchem-2275	14	2	and	and	CCONJ
eurjchem-2275	14	3	experimental	experimental	ADJ
eurjchem-2275	14	4	comparison	comparison	NOUN
eurjchem-2275	14	5	of	of	ADP
eurjchem-2275	14	6	chemical	chemical	ADJ
eurjchem-2275	14	7	shifts	shift	NOUN
eurjchem-2275	14	8	of	of	ADP
eurjchem-2275	14	9	standards	standard	NOUN
eurjchem-2275	14	10	with	with	ADP
eurjchem-2275	14	11	sufficient	sufficient	ADJ
eurjchem-2275	14	12	overlap	overlap	NOUN
eurjchem-2275	14	13	of	of	ADP
eurjchem-2275	14	14	fragments	fragment	NOUN
eurjchem-2275	14	15	containing	contain	VERB
eurjchem-2275	14	16	common	common	ADJ
eurjchem-2275	14	17	atoms	atom	NOUN
eurjchem-2275	14	18	,	,	PUNCT
eurjchem-2275	14	19	groups	group	NOUN
eurjchem-2275	14	20	,	,	PUNCT
eurjchem-2275	14	21	and	and	CCONJ
eurjchem-2275	14	22	connectivity	connectivity	NOUN
eurjchem-2275	14	23	may	may	AUX
eurjchem-2275	14	24	provide	provide	VERB
eurjchem-2275	14	25	a	a	DET
eurjchem-2275	14	26	reliable	reliable	ADJ
eurjchem-2275	14	27	minimal	minimal	ADJ
eurjchem-2275	14	28	set	set	VERB
eurjchem-2275	14	29	to	to	ADP
eurjchem-2275	14	30	benchmark	benchmark	NOUN
eurjchem-2275	14	31	and	and	CCONJ
eurjchem-2275	14	32	generate	generate	VERB
eurjchem-2275	14	33	leads	lead	NOUN
eurjchem-2275	14	34	.	.	PUNCT
eurjchem-2275	15	1	computation	computation	NOUN
eurjchem-2275	15	2	thermochemistry	thermochemistry	NOUN
eurjchem-2275	15	3	molecular	molecular	ADJ
eurjchem-2275	15	4	scaffold	scaffold	NOUN
eurjchem-2275	15	5	molecular	molecular	ADJ
eurjchem-2275	15	6	dynamics	dynamic	NOUN
eurjchem-2275	15	7	molecular	molecular	ADJ
eurjchem-2275	15	8	modeling	model	VERB
eurjchem-2275	15	9	conformational	conformational	ADJ
eurjchem-2275	15	10	analysis	analysis	NOUN
eurjchem-2275	15	11	cite	cite	VERB
eurjchem-2275	15	12	this	this	PRON
eurjchem-2275	15	13	:	:	PUNCT
eurjchem-2275	15	14	eur	eur	PROPN
eurjchem-2275	15	15	.	.	PUNCT
eurjchem-2275	16	1	j.	j.	PROPN
eurjchem-2275	16	2	chem	chem	PROPN
eurjchem-2275	16	3	.	.	PUNCT
eurjchem-2275	17	1	2022	2022	NUM
eurjchem-2275	17	2	,	,	PUNCT
eurjchem-2275	17	3	13(2	13(2	PROPN
eurjchem-2275	17	4	)	)	PUNCT
eurjchem-2275	17	5	,	,	PUNCT
eurjchem-2275	17	6	186	186	NUM
eurjchem-2275	17	7	-	-	SYM
eurjchem-2275	17	8	195	195	NUM
eurjchem-2275	17	9	journal	journal	NOUN
eurjchem-2275	17	10	website	website	NOUN
eurjchem-2275	17	11	:	:	PUNCT
eurjchem-2275	17	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2275	17	13	1	1	X
eurjchem-2275	17	14	.	.	PUNCT
eurjchem-2275	18	1	introduction	introduction	NOUN
eurjchem-2275	18	2	computational	computational	ADJ
eurjchem-2275	18	3	studies	study	NOUN
eurjchem-2275	18	4	are	be	AUX
eurjchem-2275	18	5	recognized	recognize	VERB
eurjchem-2275	18	6	as	as	ADP
eurjchem-2275	18	7	a	a	DET
eurjchem-2275	18	8	useful	useful	ADJ
eurjchem-2275	18	9	tool	tool	NOUN
eurjchem-2275	18	10	in	in	ADP
eurjchem-2275	18	11	molecular	molecular	ADJ
eurjchem-2275	18	12	design	design	NOUN
eurjchem-2275	18	13	and	and	CCONJ
eurjchem-2275	18	14	discoveries	discovery	NOUN
eurjchem-2275	18	15	[	[	X
eurjchem-2275	18	16	1	1	NUM
eurjchem-2275	18	17	]	]	PUNCT
eurjchem-2275	18	18	.	.	PUNCT
eurjchem-2275	19	1	considering	consider	VERB
eurjchem-2275	19	2	the	the	DET
eurjchem-2275	19	3	number	number	NOUN
eurjchem-2275	19	4	of	of	ADP
eurjchem-2275	19	5	software	software	NOUN
eurjchem-2275	19	6	programs	program	NOUN
eurjchem-2275	19	7	,	,	PUNCT
eurjchem-2275	19	8	[	[	X
eurjchem-2275	19	9	2	2	NUM
eurjchem-2275	19	10	]	]	SYM
eurjchem-2275	19	11	speed	speed	NOUN
eurjchem-2275	19	12	of	of	ADP
eurjchem-2275	19	13	computation	computation	NOUN
eurjchem-2275	19	14	,	,	PUNCT
eurjchem-2275	19	15	cost	cost	NOUN
eurjchem-2275	19	16	of	of	ADP
eurjchem-2275	19	17	performing	perform	VERB
eurjchem-2275	19	18	computations	computation	NOUN
eurjchem-2275	19	19	,	,	PUNCT
eurjchem-2275	19	20	and	and	CCONJ
eurjchem-2275	19	21	accessibility	accessibility	NOUN
eurjchem-2275	19	22	,	,	PUNCT
eurjchem-2275	19	23	the	the	DET
eurjchem-2275	19	24	number	number	NOUN
eurjchem-2275	19	25	of	of	ADP
eurjchem-2275	19	26	compounds	compound	NOUN
eurjchem-2275	19	27	that	that	PRON
eurjchem-2275	19	28	can	can	AUX
eurjchem-2275	19	29	be	be	AUX
eurjchem-2275	19	30	theoretically	theoretically	ADV
eurjchem-2275	19	31	explored	explore	VERB
eurjchem-2275	19	32	is	be	AUX
eurjchem-2275	19	33	essentially	essentially	ADV
eurjchem-2275	19	34	unlimited	unlimited	ADJ
eurjchem-2275	19	35	.	.	PUNCT
eurjchem-2275	20	1	generating	generate	VERB
eurjchem-2275	20	2	a	a	DET
eurjchem-2275	20	3	large	large	ADJ
eurjchem-2275	20	4	collection	collection	NOUN
eurjchem-2275	20	5	of	of	ADP
eurjchem-2275	20	6	molecules	molecule	NOUN
eurjchem-2275	20	7	experimenttally	experimenttally	ADV
eurjchem-2275	20	8	would	would	AUX
eurjchem-2275	20	9	be	be	AUX
eurjchem-2275	20	10	not	not	PART
eurjchem-2275	20	11	only	only	ADV
eurjchem-2275	20	12	costly	costly	ADJ
eurjchem-2275	20	13	but	but	CCONJ
eurjchem-2275	20	14	also	also	ADV
eurjchem-2275	20	15	environmentally	environmentally	ADV
eurjchem-2275	20	16	damaging	damaging	ADJ
eurjchem-2275	20	17	.	.	PUNCT
eurjchem-2275	21	1	the	the	DET
eurjchem-2275	21	2	time	time	NOUN
eurjchem-2275	21	3	to	to	PART
eurjchem-2275	21	4	synthesize	synthesize	VERB
eurjchem-2275	21	5	,	,	PUNCT
eurjchem-2275	21	6	purify	purify	VERB
eurjchem-2275	21	7	,	,	PUNCT
eurjchem-2275	21	8	and	and	CCONJ
eurjchem-2275	21	9	characterize	characterize	VERB
eurjchem-2275	21	10	every	every	DET
eurjchem-2275	21	11	predicted	predict	VERB
eurjchem-2275	21	12	derivative	derivative	NOUN
eurjchem-2275	21	13	even	even	ADV
eurjchem-2275	21	14	in	in	ADP
eurjchem-2275	21	15	a	a	DET
eurjchem-2275	21	16	given	give	VERB
eurjchem-2275	21	17	class	class	NOUN
eurjchem-2275	21	18	of	of	ADP
eurjchem-2275	21	19	compounds	compound	NOUN
eurjchem-2275	21	20	would	would	AUX
eurjchem-2275	21	21	be	be	AUX
eurjchem-2275	21	22	excessive	excessive	ADJ
eurjchem-2275	21	23	.	.	PUNCT
eurjchem-2275	22	1	on	on	ADP
eurjchem-2275	22	2	the	the	DET
eurjchem-2275	22	3	other	other	ADJ
eurjchem-2275	22	4	hand	hand	NOUN
eurjchem-2275	22	5	,	,	PUNCT
eurjchem-2275	22	6	if	if	SCONJ
eurjchem-2275	22	7	theoretical	theoretical	ADJ
eurjchem-2275	22	8	predictions	prediction	NOUN
eurjchem-2275	22	9	can	can	AUX
eurjchem-2275	22	10	be	be	AUX
eurjchem-2275	22	11	validated	validate	VERB
eurjchem-2275	22	12	by	by	ADP
eurjchem-2275	22	13	experimental	experimental	ADJ
eurjchem-2275	22	14	methods	method	NOUN
eurjchem-2275	22	15	for	for	ADP
eurjchem-2275	22	16	a	a	DET
eurjchem-2275	22	17	few	few	ADJ
eurjchem-2275	22	18	compounds	compound	NOUN
eurjchem-2275	22	19	they	they	PRON
eurjchem-2275	22	20	can	can	AUX
eurjchem-2275	22	21	be	be	AUX
eurjchem-2275	22	22	treated	treat	VERB
eurjchem-2275	22	23	as	as	ADP
eurjchem-2275	22	24	benchmarked	benchmarke	VERB
eurjchem-2275	22	25	standards	standard	NOUN
eurjchem-2275	22	26	against	against	ADP
eurjchem-2275	22	27	the	the	DET
eurjchem-2275	22	28	library	library	NOUN
eurjchem-2275	22	29	of	of	ADP
eurjchem-2275	22	30	designed	design	VERB
eurjchem-2275	22	31	compounds	compound	NOUN
eurjchem-2275	22	32	to	to	PART
eurjchem-2275	22	33	eliminate	eliminate	VERB
eurjchem-2275	22	34	a	a	DET
eurjchem-2275	22	35	large	large	ADJ
eurjchem-2275	22	36	fraction	fraction	NOUN
eurjchem-2275	22	37	of	of	ADP
eurjchem-2275	22	38	them	they	PRON
eurjchem-2275	22	39	and	and	CCONJ
eurjchem-2275	22	40	focus	focus	VERB
eurjchem-2275	22	41	only	only	ADV
eurjchem-2275	22	42	on	on	ADP
eurjchem-2275	22	43	a	a	DET
eurjchem-2275	22	44	few	few	ADJ
eurjchem-2275	22	45	scaffolds	scaffold	NOUN
eurjchem-2275	22	46	.	.	PUNCT
eurjchem-2275	23	1	if	if	SCONJ
eurjchem-2275	23	2	some	some	DET
eurjchem-2275	23	3	specific	specific	ADJ
eurjchem-2275	23	4	property	property	NOUN
eurjchem-2275	23	5	of	of	ADP
eurjchem-2275	23	6	a	a	DET
eurjchem-2275	23	7	molecule	molecule	NOUN
eurjchem-2275	23	8	is	be	AUX
eurjchem-2275	23	9	found	find	VERB
eurjchem-2275	23	10	to	to	PART
eurjchem-2275	23	11	preclude	preclude	VERB
eurjchem-2275	23	12	its	its	PRON
eurjchem-2275	23	13	intended	intended	ADJ
eurjchem-2275	23	14	use	use	NOUN
eurjchem-2275	23	15	,	,	PUNCT
eurjchem-2275	23	16	this	this	PRON
eurjchem-2275	23	17	may	may	AUX
eurjchem-2275	23	18	permit	permit	VERB
eurjchem-2275	23	19	early	early	ADJ
eurjchem-2275	23	20	-	-	PUNCT
eurjchem-2275	23	21	stage	stage	NOUN
eurjchem-2275	23	22	elimination	elimination	NOUN
eurjchem-2275	23	23	of	of	ADP
eurjchem-2275	23	24	a	a	DET
eurjchem-2275	23	25	subclass	subclass	NOUN
eurjchem-2275	23	26	with	with	ADP
eurjchem-2275	23	27	this	this	DET
eurjchem-2275	23	28	property	property	NOUN
eurjchem-2275	23	29	from	from	ADP
eurjchem-2275	23	30	further	further	ADJ
eurjchem-2275	23	31	consideration	consideration	NOUN
eurjchem-2275	23	32	.	.	PUNCT
eurjchem-2275	24	1	to	to	PART
eurjchem-2275	24	2	introduce	introduce	VERB
eurjchem-2275	24	3	this	this	DET
eurjchem-2275	24	4	concept	concept	NOUN
eurjchem-2275	24	5	,	,	PUNCT
eurjchem-2275	24	6	we	we	PRON
eurjchem-2275	24	7	present	present	VERB
eurjchem-2275	24	8	here	here	ADV
eurjchem-2275	24	9	a	a	DET
eurjchem-2275	24	10	computational	computational	ADJ
eurjchem-2275	24	11	study	study	NOUN
eurjchem-2275	24	12	of	of	ADP
eurjchem-2275	24	13	a	a	DET
eurjchem-2275	24	14	class	class	NOUN
eurjchem-2275	24	15	of	of	ADP
eurjchem-2275	24	16	compounds	compound	NOUN
eurjchem-2275	24	17	of	of	ADP
eurjchem-2275	24	18	interest	interest	NOUN
eurjchem-2275	24	19	as	as	ADP
eurjchem-2275	24	20	agents	agent	NOUN
eurjchem-2275	24	21	for	for	ADP
eurjchem-2275	24	22	antihypercholesterolemia	antihypercholesterolemia	NOUN
eurjchem-2275	24	23	and	and	CCONJ
eurjchem-2275	24	24	diabetes	diabetes	NOUN
eurjchem-2275	24	25	treatment	treatment	NOUN
eurjchem-2275	24	26	,	,	PUNCT
eurjchem-2275	24	27	the	the	DET
eurjchem-2275	24	28	four	four	NUM
eurjchem-2275	24	29	fibric	fibric	ADV
eurjchem-2275	24	30	acid	acid	NOUN
eurjchem-2275	24	31	derivatives	derivative	NOUN
eurjchem-2275	24	32	:	:	PUNCT
eurjchem-2275	24	33	2-(4-{2-[(4	2-(4-{2-[(4	NUM
eurjchem-2275	24	34	-	-	PUNCT
eurjchem-2275	24	35	chlorobenzoyl)amino]ethyl}phe	chlorobenzoyl)amino]ethyl}phe	NOUN
eurjchem-2275	24	36	noxy)-2	noxy)-2	NOUN
eurjchem-2275	24	37	-	-	PUNCT
eurjchem-2275	24	38	methylpropanoic	methylpropanoic	NOUN
eurjchem-2275	24	39	acid	acid	NOUN
eurjchem-2275	24	40	(	(	PUNCT
eurjchem-2275	24	41	c19h20no4cl	c19h20no4cl	NOUN
eurjchem-2275	24	42	)	)	PUNCT
eurjchem-2275	24	43	,	,	PUNCT
eurjchem-2275	24	44	2-(4	2-(4	NUM
eurjchem-2275	24	45	-	-	PUNCT
eurjchem-2275	24	46	chlorophe	chlorophe	NOUN
eurjchem-2275	24	47	noxy)-2	noxy)-2	NOUN
eurjchem-2275	24	48	-	-	PUNCT
eurjchem-2275	24	49	methylpropanoic	methylpropanoic	NOUN
eurjchem-2275	24	50	acid	acid	NOUN
eurjchem-2275	24	51	(	(	PUNCT
eurjchem-2275	24	52	c10h11o3cl	c10h11o3cl	PROPN
eurjchem-2275	24	53	)	)	PUNCT
eurjchem-2275	24	54	,	,	PUNCT
eurjchem-2275	24	55	2-[4-(4	2-[4-(4	NUM
eurjchem-2275	24	56	-	-	PUNCT
eurjchem-2275	24	57	chloro	chloro	NOUN
eurjchem-2275	24	58	benzoyl)phenoxy]-2	benzoyl)phenoxy]-2	NOUN
eurjchem-2275	24	59	-	-	PUNCT
eurjchem-2275	24	60	methylpropanoic	methylpropanoic	NOUN
eurjchem-2275	24	61	acid	acid	NOUN
eurjchem-2275	24	62	(	(	PUNCT
eurjchem-2275	24	63	c17h15o4cl	c17h15o4cl	NOUN
eurjchem-2275	24	64	)	)	PUNCT
eurjchem-2275	24	65	and	and	CCONJ
eurjchem-2275	24	66	5(2,5	5(2,5	NUM
eurjchem-2275	24	67	-	-	PUNCT
eurjchem-2275	24	68	dimethylphenoxy)-2,2	dimethylphenoxy)-2,2	NOUN
eurjchem-2275	24	69	-	-	PUNCT
eurjchem-2275	24	70	dimethylpentanoic	dimethylpentanoic	NOUN
eurjchem-2275	24	71	acid	acid	NOUN
eurjchem-2275	24	72	(	(	PUNCT
eurjchem-2275	24	73	c15h22o3	c15h22o3	NOUN
eurjchem-2275	24	74	)	)	PUNCT
eurjchem-2275	24	75	,	,	PUNCT
eurjchem-2275	24	76	known	know	VERB
eurjchem-2275	24	77	respectively	respectively	ADV
eurjchem-2275	24	78	as	as	ADP
eurjchem-2275	24	79	bezafibrate	bezafibrate	NOUN
eurjchem-2275	24	80	(	(	PUNCT
eurjchem-2275	24	81	beza	beza	PROPN
eurjchem-2275	24	82	)	)	PUNCT
eurjchem-2275	24	83	,	,	PUNCT
eurjchem-2275	24	84	clofibric	clofibric	ADJ
eurjchem-2275	24	85	acid	acid	NOUN
eurjchem-2275	24	86	(	(	PUNCT
eurjchem-2275	24	87	clo	clo	PROPN
eurjchem-2275	24	88	)	)	PUNCT
eurjchem-2275	24	89	,	,	PUNCT
eurjchem-2275	24	90	fenofibric	fenofibric	NOUN
eurjchem-2275	24	91	acid	acid	NOUN
eurjchem-2275	24	92	(	(	PUNCT
eurjchem-2275	24	93	fen	fen	PROPN
eurjchem-2275	24	94	)	)	PUNCT
eurjchem-2275	24	95	and	and	CCONJ
eurjchem-2275	24	96	gemfibrozil	gemfibrozil	NOUN
eurjchem-2275	24	97	(	(	PUNCT
eurjchem-2275	24	98	gem	gem	NOUN
eurjchem-2275	24	99	)	)	PUNCT
eurjchem-2275	24	100	(	(	PUNCT
eurjchem-2275	24	101	figure	figure	NOUN
eurjchem-2275	24	102	1	1	NUM
eurjchem-2275	24	103	)	)	PUNCT
eurjchem-2275	24	104	.	.	PUNCT
eurjchem-2275	25	1	these	these	DET
eurjchem-2275	25	2	fibric	fibric	ADJ
eurjchem-2275	25	3	acids	acid	NOUN
eurjchem-2275	25	4	interact	interact	VERB
eurjchem-2275	25	5	with	with	ADP
eurjchem-2275	25	6	the	the	DET
eurjchem-2275	25	7	diabetes	diabetes	NOUN
eurjchem-2275	25	8	target	target	NOUN
eurjchem-2275	25	9	,	,	PUNCT
eurjchem-2275	25	10	aldose	aldose	PROPN
eurjchem-2275	25	11	reductase	reductase	NOUN
eurjchem-2275	25	12	,	,	PUNCT
eurjchem-2275	25	13	and	and	CCONJ
eurjchem-2275	25	14	other	other	ADJ
eurjchem-2275	25	15	members	member	NOUN
eurjchem-2275	25	16	of	of	ADP
eurjchem-2275	25	17	the	the	DET
eurjchem-2275	25	18	aldo	aldo	PROPN
eurjchem-2275	25	19	-	-	PUNCT
eurjchem-2275	25	20	keto	keto	NOUN
eurjchem-2275	25	21	reductase	reductase	NOUN
eurjchem-2275	25	22	family	family	NOUN
eurjchem-2275	25	23	of	of	ADP
eurjchem-2275	25	24	proteins	protein	NOUN
eurjchem-2275	25	25	,	,	PUNCT
eurjchem-2275	25	26	akr1b10	akr1b10	NOUN
eurjchem-2275	26	1	[	[	X
eurjchem-2275	26	2	3	3	NUM
eurjchem-2275	26	3	-	-	SYM
eurjchem-2275	26	4	8	8	NUM
eurjchem-2275	26	5	]	]	PUNCT
eurjchem-2275	26	6	,	,	PUNCT
eurjchem-2275	26	7	and	and	CCONJ
eurjchem-2275	26	8	regulate	regulate	VERB
eurjchem-2275	26	9	their	their	PRON
eurjchem-2275	26	10	catalytic	catalytic	ADJ
eurjchem-2275	26	11	activity	activity	NOUN
eurjchem-2275	26	12	.	.	PUNCT
eurjchem-2275	27	1	in	in	ADP
eurjchem-2275	27	2	this	this	DET
eurjchem-2275	27	3	study	study	NOUN
eurjchem-2275	27	4	,	,	PUNCT
eurjchem-2275	27	5	the	the	DET
eurjchem-2275	27	6	significant	significant	ADJ
eurjchem-2275	27	7	conformations	conformation	NOUN
eurjchem-2275	27	8	of	of	ADP
eurjchem-2275	27	9	these	these	DET
eurjchem-2275	27	10	four	four	NUM
eurjchem-2275	27	11	fibric	fibric	ADJ
eurjchem-2275	27	12	acids	acid	NOUN
eurjchem-2275	27	13	are	be	AUX
eurjchem-2275	27	14	scrutinized	scrutinize	VERB
eurjchem-2275	27	15	,	,	PUNCT
eurjchem-2275	27	16	and	and	CCONJ
eurjchem-2275	27	17	their	their	PRON
eurjchem-2275	27	18	predicted	predict	VERB
eurjchem-2275	27	19	and	and	CCONJ
eurjchem-2275	27	20	experimental	experimental	ADJ
eurjchem-2275	27	21	nmr	nmr	NOUN
eurjchem-2275	27	22	spectra	spectra	NOUN
eurjchem-2275	27	23	along	along	ADP
eurjchem-2275	27	24	with	with	ADP
eurjchem-2275	27	25	other	other	ADJ
eurjchem-2275	27	26	computed	compute	VERB
eurjchem-2275	27	27	molecular	molecular	ADJ
eurjchem-2275	27	28	properties	property	NOUN
eurjchem-2275	27	29	,	,	PUNCT
eurjchem-2275	27	30	are	be	AUX
eurjchem-2275	27	31	obtained	obtain	VERB
eurjchem-2275	27	32	and	and	CCONJ
eurjchem-2275	27	33	compared	compare	VERB
eurjchem-2275	27	34	.	.	PUNCT
eurjchem-2275	28	1	2	2	X
eurjchem-2275	28	2	.	.	X
eurjchem-2275	28	3	experimental	experimental	ADJ
eurjchem-2275	28	4	2.1	2.1	NUM
eurjchem-2275	28	5	.	.	PUNCT
eurjchem-2275	29	1	molecular	molecular	ADJ
eurjchem-2275	29	2	computations	computation	NOUN
eurjchem-2275	29	3	the	the	DET
eurjchem-2275	29	4	fibric	fibric	ADJ
eurjchem-2275	29	5	acid	acid	NOUN
eurjchem-2275	29	6	structures	structure	NOUN
eurjchem-2275	29	7	were	be	AUX
eurjchem-2275	29	8	initially	initially	ADV
eurjchem-2275	29	9	built	build	VERB
eurjchem-2275	29	10	using	use	VERB
eurjchem-2275	29	11	spartan	spartan	ADJ
eurjchem-2275	29	12	[	[	X
eurjchem-2275	29	13	9,10	9,10	NUM
eurjchem-2275	29	14	]	]	PUNCT
eurjchem-2275	29	15	,	,	PUNCT
eurjchem-2275	29	16	with	with	ADP
eurjchem-2275	29	17	which	which	PRON
eurjchem-2275	29	18	a	a	DET
eurjchem-2275	29	19	conformer	conformer	NOUN
eurjchem-2275	29	20	distribution	distribution	NOUN
eurjchem-2275	29	21	was	be	AUX
eurjchem-2275	29	22	determined	determine	VERB
eurjchem-2275	29	23	at	at	ADP
eurjchem-2275	29	24	the	the	DET
eurjchem-2275	29	25	semiempirical	semiempirical	ADJ
eurjchem-2275	29	26	pm3	pm3	PROPN
eurjchem-2275	29	27	level	level	NOUN
eurjchem-2275	29	28	.	.	PUNCT
eurjchem-2275	30	1	the	the	DET
eurjchem-2275	30	2	resulting	result	VERB
eurjchem-2275	30	3	conformers	conformer	NOUN
eurjchem-2275	30	4	were	be	AUX
eurjchem-2275	30	5	sorted	sort	VERB
eurjchem-2275	30	6	based	base	VERB
eurjchem-2275	30	7	on	on	ADP
eurjchem-2275	30	8	potential	potential	ADJ
eurjchem-2275	30	9	energies	energy	NOUN
eurjchem-2275	30	10	e	e	NOUN
eurjchem-2275	30	11	,	,	PUNCT
eurjchem-2275	30	12	and	and	CCONJ
eurjchem-2275	30	13	the	the	DET
eurjchem-2275	30	14	lower	low	ADJ
eurjchem-2275	30	15	-	-	PUNCT
eurjchem-2275	30	16	energy	energy	NOUN
eurjchem-2275	30	17	conformers	conformer	NOUN
eurjchem-2275	30	18	within	within	ADP
eurjchem-2275	30	19	the	the	DET
eurjchem-2275	30	20	default	default	NOUN
eurjchem-2275	30	21	limit	limit	NOUN
eurjchem-2275	30	22	of	of	ADP
eurjchem-2275	30	23	40	40	NUM
eurjchem-2275	30	24	kj	kj	NOUN
eurjchem-2275	30	25	/	/	SYM
eurjchem-2275	30	26	mol	mol	PROPN
eurjchem-2275	30	27	were	be	AUX
eurjchem-2275	30	28	retained	retain	VERB
eurjchem-2275	30	29	.	.	PUNCT
eurjchem-2275	31	1	previously	previously	ADV
eurjchem-2275	31	2	obtained	obtain	VERB
eurjchem-2275	31	3	crystal	crystal	NOUN
eurjchem-2275	31	4	structures	structure	NOUN
eurjchem-2275	31	5	of	of	ADP
eurjchem-2275	31	6	each	each	DET
eurjchem-2275	31	7	compound	compound	NOUN
eurjchem-2275	31	8	[	[	X
eurjchem-2275	31	9	1114	1114	NUM
eurjchem-2275	31	10	]	]	PUNCT
eurjchem-2275	31	11	were	be	AUX
eurjchem-2275	31	12	considered	consider	VERB
eurjchem-2275	31	13	also	also	ADV
eurjchem-2275	31	14	.	.	PUNCT
eurjchem-2275	32	1	conformers	conformer	NOUN
eurjchem-2275	32	2	were	be	AUX
eurjchem-2275	32	3	then	then	ADV
eurjchem-2275	32	4	optimized	optimize	VERB
eurjchem-2275	32	5	by	by	ADP
eurjchem-2275	32	6	density	density	NOUN
eurjchem-2275	32	7	functional	functional	ADJ
eurjchem-2275	32	8	theory	theory	NOUN
eurjchem-2275	32	9	(	(	PUNCT
eurjchem-2275	32	10	dft	dft	NOUN
eurjchem-2275	32	11	)	)	PUNCT
eurjchem-2275	32	12	using	use	VERB
eurjchem-2275	32	13	gaussian16	gaussian16	NOUN
eurjchem-2275	32	14	[	[	X
eurjchem-2275	32	15	15	15	NUM
eurjchem-2275	32	16	]	]	PUNCT
eurjchem-2275	32	17	through	through	ADP
eurjchem-2275	32	18	the	the	DET
eurjchem-2275	32	19	ohio	ohio	PROPN
eurjchem-2275	32	20	supercomputer	supercomputer	NOUN
eurjchem-2275	32	21	center	center	NOUN
eurjchem-2275	33	1	[	[	X
eurjchem-2275	33	2	16	16	NUM
eurjchem-2275	33	3	]	]	PUNCT
eurjchem-2275	33	4	at	at	ADP
eurjchem-2275	33	5	the	the	DET
eurjchem-2275	33	6	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	33	7	-	-	PUNCT
eurjchem-2275	33	8	31	31	NUM
eurjchem-2275	33	9	g	g	NOUN
eurjchem-2275	33	10	*	*	NOUN
eurjchem-2275	33	11	level	level	NOUN
eurjchem-2275	33	12	with	with	ADP
eurjchem-2275	33	13	acetone	acetone	NOUN
eurjchem-2275	33	14	solvent	solvent	NOUN
eurjchem-2275	33	15	(	(	PUNCT
eurjchem-2275	33	16	as	as	ADP
eurjchem-2275	33	17	for	for	ADP
eurjchem-2275	33	18	the	the	DET
eurjchem-2275	33	19	nmr	nmr	NOUN
eurjchem-2275	33	20	experiments	experiment	NOUN
eurjchem-2275	33	21	)	)	PUNCT
eurjchem-2275	33	22	by	by	ADP
eurjchem-2275	33	23	the	the	DET
eurjchem-2275	33	24	selfconsistent	selfconsistent	NOUN
eurjchem-2275	33	25	reaction	reaction	NOUN
eurjchem-2275	33	26	field	field	NOUN
eurjchem-2275	33	27	(	(	PUNCT
eurjchem-2275	33	28	scrf	scrf	NOUN
eurjchem-2275	33	29	)	)	PUNCT
eurjchem-2275	33	30	method	method	NOUN
eurjchem-2275	33	31	with	with	ADP
eurjchem-2275	33	32	the	the	DET
eurjchem-2275	33	33	polarizable	polarizable	ADJ
eurjchem-2275	33	34	continuum	continuum	ADJ
eurjchem-2275	33	35	model	model	NOUN
eurjchem-2275	33	36	(	(	PUNCT
eurjchem-2275	33	37	pcm	pcm	NOUN
eurjchem-2275	33	38	)	)	PUNCT
eurjchem-2275	33	39	and	and	CCONJ
eurjchem-2275	33	40	vibrational	vibrational	ADJ
eurjchem-2275	33	41	analysis	analysis	NOUN
eurjchem-2275	33	42	(	(	PUNCT
eurjchem-2275	33	43	freq	freq	NOUN
eurjchem-2275	33	44	)	)	PUNCT
eurjchem-2275	33	45	to	to	PART
eurjchem-2275	33	46	obtain	obtain	VERB
eurjchem-2275	33	47	standard	standard	ADJ
eurjchem-2275	33	48	thermochemical	thermochemical	ADJ
eurjchem-2275	33	49	parameters	parameter	NOUN
eurjchem-2275	33	50	at	at	ADP
eurjchem-2275	33	51	298	298	NUM
eurjchem-2275	33	52	k	k	NOUN
eurjchem-2275	33	53	and	and	CCONJ
eurjchem-2275	33	54	to	to	AUX
eurjchem-2275	33	55	abstract	abstract	ADJ
eurjchem-2275	33	56	research	research	NOUN
eurjchem-2275	33	57	article	article	NOUN
eurjchem-2275	33	58	keywords	keyword	VERB
eurjchem-2275	33	59	https://dx.doi.org/10.5155/eurjchem.13.2.186-195.2275	https://dx.doi.org/10.5155/eurjchem.13.2.186-195.2275	PROPN
eurjchem-2275	33	60	https://www.eurjchem.com/	https://www.eurjchem.com/	NOUN
eurjchem-2275	33	61	https://dx.doi.org/10.5155/eurjchem.13.2.186-195.2275	https://dx.doi.org/10.5155/eurjchem.13.2.186-195.2275	PROPN
eurjchem-2275	33	62	mailto:gkbalendiran@ysu.edu	mailto:gkbalendiran@ysu.edu	PROPN
eurjchem-2275	33	63	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-2275	33	64	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.13.2.186-195.2275&domain=pdf&date_stamp=2022-06-30	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.13.2.186-195.2275&domain=pdf&date_stamp=2022-06-30	PROPN
eurjchem-2275	33	65	miller	miller	PROPN
eurjchem-2275	33	66	et	et	PROPN
eurjchem-2275	33	67	al	al	PROPN
eurjchem-2275	33	68	.	.	PUNCT
eurjchem-2275	33	69	/	/	SYM
eurjchem-2275	33	70	european	european	PROPN
eurjchem-2275	33	71	journal	journal	PROPN
eurjchem-2275	33	72	of	of	ADP
eurjchem-2275	33	73	chemistry	chemistry	NOUN
eurjchem-2275	33	74	13	13	NUM
eurjchem-2275	33	75	(	(	PUNCT
eurjchem-2275	33	76	2	2	NUM
eurjchem-2275	33	77	)	)	PUNCT
eurjchem-2275	33	78	(	(	PUNCT
eurjchem-2275	33	79	2022	2022	NUM
eurjchem-2275	33	80	)	)	PUNCT
eurjchem-2275	33	81	186	186	NUM
eurjchem-2275	33	82	-	-	SYM
eurjchem-2275	33	83	195	195	NUM
eurjchem-2275	33	84	187	187	NUM
eurjchem-2275	33	85	2022	2022	NUM
eurjchem-2275	33	86	–	–	PUNCT
eurjchem-2275	33	87	european	european	ADJ
eurjchem-2275	33	88	journal	journal	NOUN
eurjchem-2275	33	89	of	of	ADP
eurjchem-2275	33	90	chemistry	chemistry	NOUN
eurjchem-2275	33	91	–	–	PUNCT
eurjchem-2275	33	92	cc	cc	NOUN
eurjchem-2275	33	93	by	by	ADP
eurjchem-2275	33	94	nc	nc	PROPN
eurjchem-2275	33	95	–	–	PUNCT
eurjchem-2275	33	96	doi	doi	NOUN
eurjchem-2275	33	97	:	:	PUNCT
eurjchem-2275	33	98	10.5155	10.5155	NUM
eurjchem-2275	33	99	/	/	SYM
eurjchem-2275	33	100	eurjchem.13.2.186	eurjchem.13.2.186	NOUN
eurjchem-2275	33	101	-	-	SYM
eurjchem-2275	33	102	195.2275	195.2275	NUM
eurjchem-2275	33	103	n	n	NOUN
eurjchem-2275	33	104	cl	cl	NOUN
eurjchem-2275	34	1	o	o	NOUN
eurjchem-2275	34	2	o	o	X
eurjchem-2275	35	1	o	o	X
eurjchem-2275	36	1	oh	oh	INTJ
eurjchem-2275	36	2	o	o	INTJ
eurjchem-2275	36	3	cl	cl	INTJ
eurjchem-2275	37	1	o	o	NOUN
eurjchem-2275	38	1	oh	oh	INTJ
eurjchem-2275	38	2	o	o	INTJ
eurjchem-2275	39	1	o	o	X
eurjchem-2275	39	2	o	o	X
eurjchem-2275	40	1	cl	cl	NOUN
eurjchem-2275	41	1	oh	oh	INTJ
eurjchem-2275	41	2	o	o	INTJ
eurjchem-2275	41	3	oho	oho	PROPN
eurjchem-2275	41	4	ch3	ch3	PROPN
eurjchem-2275	41	5	ch3	ch3	PROPN
eurjchem-2275	41	6	bezafibrate	bezafibrate	PROPN
eurjchem-2275	41	7	clofibric	clofibric	ADJ
eurjchem-2275	41	8	acid	acid	NOUN
eurjchem-2275	41	9	fenofibric	fenofibric	NOUN
eurjchem-2275	41	10	acid	acid	NOUN
eurjchem-2275	41	11	gemfibrozil	gemfibrozil	NOUN
eurjchem-2275	41	12	h	h	NOUN
eurjchem-2275	41	13	figure	figure	NOUN
eurjchem-2275	41	14	1	1	NUM
eurjchem-2275	41	15	.	.	PUNCT
eurjchem-2275	42	1	chemical	chemical	NOUN
eurjchem-2275	42	2	structures	structure	NOUN
eurjchem-2275	42	3	of	of	ADP
eurjchem-2275	42	4	fibric	fibric	ADJ
eurjchem-2275	42	5	acids	acid	NOUN
eurjchem-2275	42	6	beza	beza	PROPN
eurjchem-2275	42	7	,	,	PUNCT
eurjchem-2275	42	8	clo	clo	PROPN
eurjchem-2275	42	9	,	,	PUNCT
eurjchem-2275	42	10	fen	fen	PROPN
eurjchem-2275	42	11	,	,	PUNCT
eurjchem-2275	42	12	and	and	CCONJ
eurjchem-2275	42	13	gem	gem	NOUN
eurjchem-2275	42	14	.	.	PUNCT
eurjchem-2275	43	1	verify	verify	VERB
eurjchem-2275	43	2	that	that	SCONJ
eurjchem-2275	43	3	true	true	ADJ
eurjchem-2275	43	4	local	local	ADJ
eurjchem-2275	43	5	minima	minima	NOUN
eurjchem-2275	43	6	were	be	AUX
eurjchem-2275	43	7	obtained	obtain	VERB
eurjchem-2275	43	8	with	with	ADP
eurjchem-2275	43	9	no	no	DET
eurjchem-2275	43	10	imaginary	imaginary	ADJ
eurjchem-2275	43	11	frequencies	frequency	NOUN
eurjchem-2275	43	12	.	.	PUNCT
eurjchem-2275	44	1	boltzmann	boltzmann	PROPN
eurjchem-2275	44	2	factors	factor	NOUN
eurjchem-2275	44	3	were	be	AUX
eurjchem-2275	44	4	calculated	calculate	VERB
eurjchem-2275	44	5	from	from	ADP
eurjchem-2275	44	6	equation	equation	NOUN
eurjchem-2275	44	7	(	(	PUNCT
eurjchem-2275	44	8	1	1	NUM
eurjchem-2275	44	9	)	)	PUNCT
eurjchem-2275	44	10	;	;	PUNCT
eurjchem-2275	45	1	𝑁𝑁	𝑁𝑁	PROPN
eurjchem-2275	45	2	𝑁𝑁a	𝑁𝑁a	NOUN
eurjchem-2275	45	3	=	=	SYM
eurjchem-2275	45	4	exp	exp	NOUN
eurjchem-2275	45	5	�	�	PROPN
eurjchem-2275	45	6	−∆𝐺𝐺	−∆𝐺𝐺	NOUN
eurjchem-2275	45	7	°	°	PROPN
eurjchem-2275	45	8	r𝑇𝑇	r𝑇𝑇	ADJ
eurjchem-2275	45	9	�	�	PROPN
eurjchem-2275	45	10	(	(	PUNCT
eurjchem-2275	45	11	1	1	NUM
eurjchem-2275	45	12	)	)	PUNCT
eurjchem-2275	45	13	where	where	SCONJ
eurjchem-2275	45	14	δg	δg	VERB
eurjchem-2275	45	15	°	°	NOUN
eurjchem-2275	45	16	=	=	PUNCT
eurjchem-2275	46	1	g	g	NOUN
eurjchem-2275	46	2	°	°	NOUN
eurjchem-2275	46	3	g	g	NOUN
eurjchem-2275	46	4	°	°	VERB
eurjchem-2275	46	5	a.	a.	NOUN
eurjchem-2275	46	6	here	here	ADV
eurjchem-2275	46	7	g	g	PROPN
eurjchem-2275	46	8	°	°	PROPN
eurjchem-2275	46	9	is	be	AUX
eurjchem-2275	46	10	the	the	DET
eurjchem-2275	46	11	computed	computed	ADJ
eurjchem-2275	46	12	standard	standard	ADJ
eurjchem-2275	46	13	gibbs	gibbs	PROPN
eurjchem-2275	46	14	energy	energy	NOUN
eurjchem-2275	46	15	for	for	ADP
eurjchem-2275	46	16	a	a	DET
eurjchem-2275	46	17	conformer	conformer	NOUN
eurjchem-2275	46	18	,	,	PUNCT
eurjchem-2275	46	19	and	and	CCONJ
eurjchem-2275	46	20	g	g	ADP
eurjchem-2275	46	21	°	°	NOUN
eurjchem-2275	46	22	a	a	PRON
eurjchem-2275	46	23	is	be	AUX
eurjchem-2275	46	24	for	for	ADP
eurjchem-2275	46	25	the	the	DET
eurjchem-2275	46	26	most	most	ADV
eurjchem-2275	46	27	stable	stable	ADJ
eurjchem-2275	46	28	conformer	conformer	NOUN
eurjchem-2275	46	29	.	.	PUNCT
eurjchem-2275	47	1	only	only	ADJ
eurjchem-2275	47	2	conformers	conformer	NOUN
eurjchem-2275	47	3	with	with	ADP
eurjchem-2275	47	4	boltzmann	boltzmann	PROPN
eurjchem-2275	47	5	factor	factor	NOUN
eurjchem-2275	47	6	>	>	X
eurjchem-2275	47	7	1	1	NUM
eurjchem-2275	47	8	%	%	NOUN
eurjchem-2275	47	9	are	be	AUX
eurjchem-2275	47	10	considered	consider	VERB
eurjchem-2275	47	11	significant	significant	ADJ
eurjchem-2275	47	12	here	here	ADV
eurjchem-2275	47	13	.	.	PUNCT
eurjchem-2275	48	1	this	this	PRON
eurjchem-2275	48	2	corresponds	correspond	VERB
eurjchem-2275	48	3	to	to	ADP
eurjchem-2275	48	4	a	a	DET
eurjchem-2275	48	5	limit	limit	NOUN
eurjchem-2275	48	6	δg	δg	VERB
eurjchem-2275	48	7	°	°	NOUN
eurjchem-2275	48	8	<	<	X
eurjchem-2275	48	9	12	12	NUM
eurjchem-2275	48	10	kj	kj	PROPN
eurjchem-2275	48	11	/	/	SYM
eurjchem-2275	48	12	mol	mol	PROPN
eurjchem-2275	48	13	and	and	CCONJ
eurjchem-2275	48	14	results	result	NOUN
eurjchem-2275	48	15	in	in	ADP
eurjchem-2275	48	16	5	5	NUM
eurjchem-2275	48	17	,	,	PUNCT
eurjchem-2275	48	18	4	4	NUM
eurjchem-2275	48	19	,	,	PUNCT
eurjchem-2275	48	20	8	8	NUM
eurjchem-2275	48	21	,	,	PUNCT
eurjchem-2275	48	22	and	and	CCONJ
eurjchem-2275	48	23	7	7	NUM
eurjchem-2275	48	24	retained	retain	VERB
eurjchem-2275	48	25	conformers	conformer	NOUN
eurjchem-2275	48	26	,	,	PUNCT
eurjchem-2275	48	27	respectively	respectively	ADV
eurjchem-2275	48	28	,	,	PUNCT
eurjchem-2275	48	29	for	for	ADP
eurjchem-2275	48	30	beza	beza	PROPN
eurjchem-2275	48	31	,	,	PUNCT
eurjchem-2275	48	32	clo	clo	PROPN
eurjchem-2275	48	33	,	,	PUNCT
eurjchem-2275	48	34	fen	fen	PROPN
eurjchem-2275	48	35	,	,	PUNCT
eurjchem-2275	48	36	and	and	CCONJ
eurjchem-2275	48	37	gem	gem	NOUN
eurjchem-2275	48	38	.	.	PUNCT
eurjchem-2275	49	1	differences	difference	NOUN
eurjchem-2275	49	2	in	in	ADP
eurjchem-2275	49	3	computed	computed	ADJ
eurjchem-2275	49	4	entropy	entropy	NOUN
eurjchem-2275	49	5	(	(	PUNCT
eurjchem-2275	49	6	s	s	NOUN
eurjchem-2275	49	7	°	°	NOUN
eurjchem-2275	49	8	)	)	PUNCT
eurjchem-2275	49	9	among	among	ADP
eurjchem-2275	49	10	conformers	conformer	NOUN
eurjchem-2275	49	11	of	of	ADP
eurjchem-2275	49	12	each	each	DET
eurjchem-2275	49	13	compound	compound	NOUN
eurjchem-2275	49	14	,	,	PUNCT
eurjchem-2275	49	15	except	except	SCONJ
eurjchem-2275	49	16	for	for	ADP
eurjchem-2275	49	17	gem	gem	NOUN
eurjchem-2275	49	18	,	,	PUNCT
eurjchem-2275	49	19	yield	yield	VERB
eurjchem-2275	49	20	significant	significant	ADJ
eurjchem-2275	49	21	differences	difference	NOUN
eurjchem-2275	49	22	in	in	ADP
eurjchem-2275	49	23	computed	compute	VERB
eurjchem-2275	49	24	populations	population	NOUN
eurjchem-2275	49	25	and	and	CCONJ
eurjchem-2275	49	26	stability	stability	NOUN
eurjchem-2275	49	27	rankings	ranking	NOUN
eurjchem-2275	49	28	based	base	VERB
eurjchem-2275	49	29	on	on	ADP
eurjchem-2275	49	30	g	g	PROPN
eurjchem-2275	49	31	°	°	NOUN
eurjchem-2275	49	32	versus	versus	ADP
eurjchem-2275	49	33	e	e	NOUN
eurjchem-2275	49	34	,	,	PUNCT
eurjchem-2275	49	35	showing	show	VERB
eurjchem-2275	49	36	the	the	DET
eurjchem-2275	49	37	importance	importance	NOUN
eurjchem-2275	49	38	of	of	ADP
eurjchem-2275	49	39	using	use	VERB
eurjchem-2275	49	40	g	g	PROPN
eurjchem-2275	49	41	°	°	PROPN
eurjchem-2275	49	42	.	.	PUNCT
eurjchem-2275	50	1	as	as	ADP
eurjchem-2275	50	2	a	a	DET
eurjchem-2275	50	3	test	test	NOUN
eurjchem-2275	50	4	of	of	ADP
eurjchem-2275	50	5	the	the	DET
eurjchem-2275	50	6	basis	basis	NOUN
eurjchem-2275	50	7	-	-	PUNCT
eurjchem-2275	50	8	set	set	VERB
eurjchem-2275	50	9	adequacy	adequacy	NOUN
eurjchem-2275	50	10	,	,	PUNCT
eurjchem-2275	50	11	the	the	DET
eurjchem-2275	50	12	principal	principal	ADJ
eurjchem-2275	50	13	conformer	conformer	NOUN
eurjchem-2275	50	14	of	of	ADP
eurjchem-2275	50	15	clo	clo	PROPN
eurjchem-2275	50	16	was	be	AUX
eurjchem-2275	50	17	optimized	optimize	VERB
eurjchem-2275	50	18	with	with	ADP
eurjchem-2275	50	19	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	50	20	-	-	NOUN
eurjchem-2275	50	21	311+g	311+g	ADJ
eurjchem-2275	50	22	*	*	NOUN
eurjchem-2275	50	23	*	*	PUNCT
eurjchem-2275	50	24	giving	give	VERB
eurjchem-2275	50	25	a	a	DET
eurjchem-2275	50	26	geometry	geometry	NOUN
eurjchem-2275	50	27	close	close	ADV
eurjchem-2275	50	28	to	to	ADP
eurjchem-2275	50	29	that	that	PRON
eurjchem-2275	50	30	with	with	ADP
eurjchem-2275	50	31	6	6	NUM
eurjchem-2275	50	32	-	-	SYM
eurjchem-2275	50	33	31	31	NUM
eurjchem-2275	50	34	g	g	NOUN
eurjchem-2275	50	35	*	*	NOUN
eurjchem-2275	50	36	.	.	PUNCT
eurjchem-2275	51	1	torsion	torsion	NOUN
eurjchem-2275	51	2	angles	angle	NOUN
eurjchem-2275	51	3	are	be	AUX
eurjchem-2275	51	4	within	within	ADP
eurjchem-2275	51	5	2	2	NUM
eurjchem-2275	51	6	°	°	NUM
eurjchem-2275	51	7	and	and	CCONJ
eurjchem-2275	51	8	bond	bond	NOUN
eurjchem-2275	51	9	lengths	length	NOUN
eurjchem-2275	51	10	within	within	ADP
eurjchem-2275	51	11	0.005	0.005	NUM
eurjchem-2275	51	12	å	å	NOUN
eurjchem-2275	51	13	between	between	ADP
eurjchem-2275	51	14	the	the	DET
eurjchem-2275	51	15	two	two	NUM
eurjchem-2275	51	16	basis	basis	NOUN
eurjchem-2275	51	17	sets	set	NOUN
eurjchem-2275	51	18	,	,	PUNCT
eurjchem-2275	51	19	so	so	SCONJ
eurjchem-2275	51	20	the	the	PRON
eurjchem-2275	51	21	more	more	ADV
eurjchem-2275	51	22	economical	economical	ADJ
eurjchem-2275	51	23	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	51	24	-	-	PUNCT
eurjchem-2275	51	25	31	31	NUM
eurjchem-2275	51	26	g	g	NOUN
eurjchem-2275	51	27	*	*	NOUN
eurjchem-2275	51	28	method	method	NOUN
eurjchem-2275	51	29	is	be	AUX
eurjchem-2275	51	30	used	use	VERB
eurjchem-2275	51	31	for	for	ADP
eurjchem-2275	51	32	geometry	geometry	NOUN
eurjchem-2275	51	33	optimizations	optimization	NOUN
eurjchem-2275	51	34	.	.	PUNCT
eurjchem-2275	52	1	for	for	ADP
eurjchem-2275	52	2	each	each	PRON
eurjchem-2275	52	3	of	of	ADP
eurjchem-2275	52	4	the	the	DET
eurjchem-2275	52	5	24	24	NUM
eurjchem-2275	52	6	conformers	conformer	NOUN
eurjchem-2275	52	7	,	,	PUNCT
eurjchem-2275	52	8	nmr	nmr	NOUN
eurjchem-2275	52	9	spectra	spectra	NOUN
eurjchem-2275	52	10	were	be	AUX
eurjchem-2275	52	11	computed	compute	VERB
eurjchem-2275	52	12	using	use	VERB
eurjchem-2275	52	13	the	the	DET
eurjchem-2275	52	14	gaussian	gaussian	ADJ
eurjchem-2275	52	15	default	default	NOUN
eurjchem-2275	52	16	gauge	gauge	NOUN
eurjchem-2275	52	17	-	-	PUNCT
eurjchem-2275	52	18	independent	independent	ADJ
eurjchem-2275	52	19	atomic	atomic	ADJ
eurjchem-2275	52	20	orbital	orbital	ADJ
eurjchem-2275	52	21	method	method	NOUN
eurjchem-2275	52	22	with	with	ADP
eurjchem-2275	52	23	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	52	24	-	-	NOUN
eurjchem-2275	52	25	311+g	311+g	ADJ
eurjchem-2275	52	26	*	*	NOUN
eurjchem-2275	52	27	*	*	NOUN
eurjchem-2275	52	28	.	.	PUNCT
eurjchem-2275	53	1	chemical	chemical	ADJ
eurjchem-2275	53	2	shifts	shift	NOUN
eurjchem-2275	53	3	were	be	AUX
eurjchem-2275	53	4	obtained	obtain	VERB
eurjchem-2275	53	5	(	(	PUNCT
eurjchem-2275	53	6	equation	equation	NOUN
eurjchem-2275	53	7	2	2	NUM
eurjchem-2275	53	8	)	)	PUNCT
eurjchem-2275	53	9	by	by	ADP
eurjchem-2275	53	10	subtracting	subtract	VERB
eurjchem-2275	53	11	the	the	DET
eurjchem-2275	53	12	fibric	fibric	ADJ
eurjchem-2275	53	13	acid	acid	NOUN
eurjchem-2275	53	14	chemical	chemical	NOUN
eurjchem-2275	53	15	shieldings	shielding	NOUN
eurjchem-2275	53	16	from	from	ADP
eurjchem-2275	53	17	those	those	PRON
eurjchem-2275	53	18	of	of	ADP
eurjchem-2275	53	19	optimized	optimize	VERB
eurjchem-2275	53	20	tetramethylsilane	tetramethylsilane	NOUN
eurjchem-2275	53	21	:	:	PUNCT
eurjchem-2275	53	22	σ(1h	σ(1h	NUM
eurjchem-2275	53	23	)	)	PUNCT
eurjchem-2275	53	24	=	=	SYM
eurjchem-2275	53	25	31.89	31.89	NUM
eurjchem-2275	53	26	ppm	ppm	NOUN
eurjchem-2275	53	27	,	,	PUNCT
eurjchem-2275	53	28	σ(13c	σ(13c	NOUN
eurjchem-2275	53	29	)	)	PUNCT
eurjchem-2275	53	30	=	=	SYM
eurjchem-2275	53	31	184.0	184.0	NUM
eurjchem-2275	53	32	ppm	ppm	NOUN
eurjchem-2275	53	33	.	.	PUNCT
eurjchem-2275	54	1	𝛿𝛿𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐	𝛿𝛿𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐	NOUN
eurjchem-2275	54	2	=	=	SYM
eurjchem-2275	54	3	𝜎𝜎𝑟𝑟𝑟𝑟𝑟𝑟	𝜎𝜎𝑟𝑟𝑟𝑟𝑟𝑟	PROPN
eurjchem-2275	54	4	−	−	PROPN
eurjchem-2275	55	1	𝜎𝜎	𝜎𝜎	INTJ
eurjchem-2275	55	2	(	(	PUNCT
eurjchem-2275	55	3	2	2	NUM
eurjchem-2275	55	4	)	)	PUNCT
eurjchem-2275	55	5	the	the	DET
eurjchem-2275	55	6	carboxylic	carboxylic	ADJ
eurjchem-2275	55	7	acid	acid	NOUN
eurjchem-2275	55	8	and	and	CCONJ
eurjchem-2275	55	9	amide	amide	NOUN
eurjchem-2275	55	10	protons	proton	NOUN
eurjchem-2275	55	11	are	be	AUX
eurjchem-2275	55	12	not	not	PART
eurjchem-2275	55	13	considered	consider	VERB
eurjchem-2275	55	14	in	in	ADP
eurjchem-2275	55	15	this	this	DET
eurjchem-2275	55	16	analysis	analysis	NOUN
eurjchem-2275	55	17	because	because	SCONJ
eurjchem-2275	55	18	their	their	PRON
eurjchem-2275	55	19	σ	σ	NOUN
eurjchem-2275	55	20	depends	depend	VERB
eurjchem-2275	55	21	on	on	ADP
eurjchem-2275	55	22	experimental	experimental	ADJ
eurjchem-2275	55	23	temperature	temperature	NOUN
eurjchem-2275	55	24	and	and	CCONJ
eurjchem-2275	55	25	concentration	concentration	NOUN
eurjchem-2275	55	26	,	,	PUNCT
eurjchem-2275	55	27	and	and	CCONJ
eurjchem-2275	55	28	can	can	AUX
eurjchem-2275	55	29	not	not	PART
eurjchem-2275	55	30	be	be	AUX
eurjchem-2275	55	31	reliably	reliably	ADV
eurjchem-2275	55	32	compared	compare	VERB
eurjchem-2275	55	33	with	with	ADP
eurjchem-2275	55	34	the	the	DET
eurjchem-2275	55	35	theoretical	theoretical	ADJ
eurjchem-2275	55	36	calculations	calculation	NOUN
eurjchem-2275	55	37	[	[	X
eurjchem-2275	55	38	17,18	17,18	NUM
eurjchem-2275	55	39	]	]	X
eurjchem-2275	55	40	.	.	PUNCT
eurjchem-2275	56	1	for	for	ADP
eurjchem-2275	56	2	comparison	comparison	NOUN
eurjchem-2275	56	3	with	with	ADP
eurjchem-2275	56	4	experimental	experimental	ADJ
eurjchem-2275	56	5	values	value	NOUN
eurjchem-2275	56	6	,	,	PUNCT
eurjchem-2275	56	7	predicted	predict	VERB
eurjchem-2275	56	8	chemical	chemical	ADJ
eurjchem-2275	56	9	shifts	shift	NOUN
eurjchem-2275	56	10	are	be	AUX
eurjchem-2275	56	11	averaged	average	VERB
eurjchem-2275	56	12	for	for	ADP
eurjchem-2275	56	13	atoms	atom	NOUN
eurjchem-2275	56	14	that	that	PRON
eurjchem-2275	56	15	are	be	AUX
eurjchem-2275	56	16	expected	expect	VERB
eurjchem-2275	56	17	to	to	PART
eurjchem-2275	56	18	experience	experience	VERB
eurjchem-2275	56	19	the	the	DET
eurjchem-2275	56	20	same	same	ADJ
eurjchem-2275	56	21	electronic	electronic	ADJ
eurjchem-2275	56	22	environment	environment	NOUN
eurjchem-2275	56	23	within	within	ADP
eurjchem-2275	56	24	the	the	DET
eurjchem-2275	56	25	nmr	nmr	NOUN
eurjchem-2275	56	26	timescales	timescale	NOUN
eurjchem-2275	56	27	(	(	PUNCT
eurjchem-2275	56	28	e.g.	e.g.	ADV
eurjchem-2275	56	29	,	,	PUNCT
eurjchem-2275	56	30	protons	proton	NOUN
eurjchem-2275	56	31	in	in	ADP
eurjchem-2275	56	32	the	the	DET
eurjchem-2275	56	33	same	same	ADJ
eurjchem-2275	56	34	methyl	methyl	NOUN
eurjchem-2275	56	35	group	group	NOUN
eurjchem-2275	56	36	)	)	PUNCT
eurjchem-2275	56	37	.	.	PUNCT
eurjchem-2275	57	1	to	to	PART
eurjchem-2275	57	2	create	create	VERB
eurjchem-2275	57	3	composite	composite	ADJ
eurjchem-2275	57	4	nmr	nmr	NOUN
eurjchem-2275	57	5	spectra	spectra	NOUN
eurjchem-2275	57	6	from	from	ADP
eurjchem-2275	57	7	the	the	DET
eurjchem-2275	57	8	ensembles	ensemble	NOUN
eurjchem-2275	57	9	of	of	ADP
eurjchem-2275	57	10	predicted	predict	VERB
eurjchem-2275	57	11	spectra	spectra	PROPN
eurjchem-2275	57	12	,	,	PUNCT
eurjchem-2275	57	13	the	the	DET
eurjchem-2275	57	14	chemical	chemical	ADJ
eurjchem-2275	57	15	shifts	shift	NOUN
eurjchem-2275	57	16	are	be	AUX
eurjchem-2275	57	17	weighted	weight	VERB
eurjchem-2275	57	18	according	accord	VERB
eurjchem-2275	57	19	to	to	ADP
eurjchem-2275	57	20	the	the	DET
eurjchem-2275	57	21	boltzmann	boltzmann	PROPN
eurjchem-2275	57	22	factors	factor	NOUN
eurjchem-2275	57	23	of	of	ADP
eurjchem-2275	57	24	the	the	DET
eurjchem-2275	57	25	conformers	conformer	NOUN
eurjchem-2275	57	26	.	.	PUNCT
eurjchem-2275	58	1	since	since	SCONJ
eurjchem-2275	58	2	the	the	DET
eurjchem-2275	58	3	structural	structural	ADJ
eurjchem-2275	58	4	computations	computation	NOUN
eurjchem-2275	58	5	show	show	VERB
eurjchem-2275	58	6	the	the	DET
eurjchem-2275	58	7	most	most	ADV
eurjchem-2275	58	8	abundant	abundant	ADJ
eurjchem-2275	58	9	conformers	conformer	NOUN
eurjchem-2275	58	10	with	with	ADP
eurjchem-2275	58	11	intramolecular	intramolecular	ADJ
eurjchem-2275	58	12	h	h	NOUN
eurjchem-2275	58	13	bonding	bonding	NOUN
eurjchem-2275	58	14	for	for	ADP
eurjchem-2275	58	15	beza	beza	PROPN
eurjchem-2275	58	16	(	(	PUNCT
eurjchem-2275	58	17	a	a	PRON
eurjchem-2275	58	18	and	and	CCONJ
eurjchem-2275	58	19	b	b	NOUN
eurjchem-2275	58	20	)	)	PUNCT
eurjchem-2275	58	21	,	,	PUNCT
eurjchem-2275	58	22	clo	clo	PROPN
eurjchem-2275	58	23	(	(	PUNCT
eurjchem-2275	58	24	a	a	DET
eurjchem-2275	58	25	only	only	ADV
eurjchem-2275	58	26	)	)	PUNCT
eurjchem-2275	58	27	,	,	PUNCT
eurjchem-2275	58	28	and	and	CCONJ
eurjchem-2275	58	29	fen	fen	PROPN
eurjchem-2275	58	30	(	(	PUNCT
eurjchem-2275	58	31	a	a	PRON
eurjchem-2275	58	32	and	and	CCONJ
eurjchem-2275	58	33	b	b	NOUN
eurjchem-2275	58	34	)	)	PUNCT
eurjchem-2275	58	35	,	,	PUNCT
eurjchem-2275	58	36	weighted	weight	VERB
eurjchem-2275	58	37	averages	average	NOUN
eurjchem-2275	58	38	of	of	ADP
eurjchem-2275	58	39	the	the	DET
eurjchem-2275	58	40	computed	computed	ADJ
eurjchem-2275	58	41	nmr	nmr	NOUN
eurjchem-2275	58	42	spectra	spectra	NOUN
eurjchem-2275	58	43	for	for	ADP
eurjchem-2275	58	44	these	these	DET
eurjchem-2275	58	45	conformers	conformer	NOUN
eurjchem-2275	58	46	are	be	AUX
eurjchem-2275	58	47	used	use	VERB
eurjchem-2275	58	48	for	for	ADP
eurjchem-2275	58	49	comparison	comparison	NOUN
eurjchem-2275	58	50	with	with	ADP
eurjchem-2275	58	51	experiment	experiment	NOUN
eurjchem-2275	58	52	.	.	PUNCT
eurjchem-2275	59	1	for	for	ADP
eurjchem-2275	59	2	gem	gem	NOUN
eurjchem-2275	59	3	,	,	PUNCT
eurjchem-2275	59	4	with	with	ADP
eurjchem-2275	59	5	no	no	DET
eurjchem-2275	59	6	evident	evident	ADJ
eurjchem-2275	59	7	h	h	NOUN
eurjchem-2275	59	8	bonding	bonding	NOUN
eurjchem-2275	59	9	,	,	PUNCT
eurjchem-2275	59	10	the	the	DET
eurjchem-2275	59	11	a	a	PRON
eurjchem-2275	59	12	and	and	CCONJ
eurjchem-2275	59	13	b	b	NOUN
eurjchem-2275	59	14	conformers	conformer	NOUN
eurjchem-2275	59	15	are	be	AUX
eurjchem-2275	59	16	used	use	VERB
eurjchem-2275	59	17	.	.	PUNCT
eurjchem-2275	60	1	preliminary	preliminary	ADJ
eurjchem-2275	60	2	computations	computation	NOUN
eurjchem-2275	60	3	suggest	suggest	VERB
eurjchem-2275	60	4	possible	possible	ADJ
eurjchem-2275	60	5	intermolecular	intermolecular	ADJ
eurjchem-2275	60	6	hydrogen	hydrogen	NOUN
eurjchem-2275	60	7	-	-	PUNCT
eurjchem-2275	60	8	bonding	bonding	NOUN
eurjchem-2275	60	9	between	between	ADP
eurjchem-2275	60	10	an	an	DET
eurjchem-2275	60	11	individual	individual	ADJ
eurjchem-2275	60	12	acetone	acetone	NOUN
eurjchem-2275	60	13	molecule	molecule	NOUN
eurjchem-2275	60	14	through	through	ADP
eurjchem-2275	60	15	its	its	PRON
eurjchem-2275	60	16	o	o	NOUN
eurjchem-2275	60	17	atom	atom	NOUN
eurjchem-2275	60	18	and	and	CCONJ
eurjchem-2275	60	19	a	a	DET
eurjchem-2275	60	20	proton	proton	NOUN
eurjchem-2275	60	21	at	at	ADP
eurjchem-2275	60	22	a	a	DET
eurjchem-2275	60	23	carboxyl	carboxyl	NOUN
eurjchem-2275	60	24	or	or	CCONJ
eurjchem-2275	60	25	amide	amide	NOUN
eurjchem-2275	60	26	site	site	NOUN
eurjchem-2275	60	27	of	of	ADP
eurjchem-2275	60	28	the	the	DET
eurjchem-2275	60	29	fibric	fibric	ADJ
eurjchem-2275	60	30	acid	acid	NOUN
eurjchem-2275	60	31	.	.	PUNCT
eurjchem-2275	61	1	these	these	PRON
eurjchem-2275	61	2	are	be	AUX
eurjchem-2275	61	3	not	not	PART
eurjchem-2275	61	4	considered	consider	VERB
eurjchem-2275	61	5	in	in	ADP
eurjchem-2275	61	6	the	the	DET
eurjchem-2275	61	7	modeled	model	VERB
eurjchem-2275	61	8	geometries	geometry	NOUN
eurjchem-2275	61	9	and	and	CCONJ
eurjchem-2275	61	10	nmr	nmr	NOUN
eurjchem-2275	61	11	spectra	spectra	PROPN
eurjchem-2275	61	12	reported	report	VERB
eurjchem-2275	61	13	here	here	ADV
eurjchem-2275	61	14	,	,	PUNCT
eurjchem-2275	61	15	although	although	SCONJ
eurjchem-2275	61	16	the	the	DET
eurjchem-2275	61	17	pcm	pcm	NOUN
eurjchem-2275	61	18	method	method	NOUN
eurjchem-2275	61	19	does	do	AUX
eurjchem-2275	61	20	recognize	recognize	VERB
eurjchem-2275	61	21	the	the	DET
eurjchem-2275	61	22	electrical	electrical	ADJ
eurjchem-2275	61	23	environment	environment	NOUN
eurjchem-2275	61	24	of	of	ADP
eurjchem-2275	61	25	the	the	DET
eurjchem-2275	61	26	solvent	solvent	NOUN
eurjchem-2275	61	27	.	.	PUNCT
eurjchem-2275	62	1	comparison	comparison	NOUN
eurjchem-2275	62	2	of	of	ADP
eurjchem-2275	62	3	the	the	DET
eurjchem-2275	62	4	modeled	model	VERB
eurjchem-2275	62	5	and	and	CCONJ
eurjchem-2275	62	6	the	the	DET
eurjchem-2275	62	7	observed	observed	ADJ
eurjchem-2275	62	8	nmr	nmr	NOUN
eurjchem-2275	62	9	spectra	spectra	NOUN
eurjchem-2275	62	10	may	may	AUX
eurjchem-2275	62	11	indicate	indicate	VERB
eurjchem-2275	62	12	the	the	DET
eurjchem-2275	62	13	extent	extent	NOUN
eurjchem-2275	62	14	of	of	ADP
eurjchem-2275	62	15	such	such	ADJ
eurjchem-2275	62	16	specific	specific	ADJ
eurjchem-2275	62	17	solvation	solvation	NOUN
eurjchem-2275	62	18	.	.	PUNCT
eurjchem-2275	63	1	van	van	PROPN
eurjchem-2275	63	2	der	der	NOUN
eurjchem-2275	63	3	waals	waal	NOUN
eurjchem-2275	63	4	(	(	PUNCT
eurjchem-2275	63	5	vdw	vdw	NOUN
eurjchem-2275	63	6	)	)	PUNCT
eurjchem-2275	63	7	volume	volume	NOUN
eurjchem-2275	63	8	is	be	AUX
eurjchem-2275	63	9	calculated	calculate	VERB
eurjchem-2275	63	10	using	use	VERB
eurjchem-2275	63	11	the	the	DET
eurjchem-2275	63	12	vdw	vdw	NOUN
eurjchem-2275	63	13	radius	radius	NOUN
eurjchem-2275	63	14	of	of	ADP
eurjchem-2275	63	15	every	every	DET
eurjchem-2275	63	16	atom	atom	NOUN
eurjchem-2275	63	17	at	at	ADP
eurjchem-2275	63	18	its	its	PRON
eurjchem-2275	63	19	position	position	NOUN
eurjchem-2275	63	20	and	and	CCONJ
eurjchem-2275	63	21	includes	include	VERB
eurjchem-2275	63	22	all	all	DET
eurjchem-2275	63	23	atoms	atom	NOUN
eurjchem-2275	63	24	in	in	ADP
eurjchem-2275	63	25	the	the	DET
eurjchem-2275	63	26	molecule	molecule	NOUN
eurjchem-2275	63	27	.	.	PUNCT
eurjchem-2275	64	1	the	the	DET
eurjchem-2275	64	2	surface	surface	NOUN
eurjchem-2275	64	3	enclosing	enclose	VERB
eurjchem-2275	64	4	the	the	DET
eurjchem-2275	64	5	vdw	vdw	NOUN
eurjchem-2275	64	6	volume	volume	NOUN
eurjchem-2275	64	7	is	be	AUX
eurjchem-2275	64	8	the	the	DET
eurjchem-2275	64	9	vdw	vdw	NOUN
eurjchem-2275	64	10	surface	surface	NOUN
eurjchem-2275	65	1	[	[	X
eurjchem-2275	65	2	19	19	NUM
eurjchem-2275	65	3	-	-	SYM
eurjchem-2275	65	4	21	21	NUM
eurjchem-2275	65	5	]	]	PUNCT
eurjchem-2275	65	6	.	.	PUNCT
eurjchem-2275	66	1	the	the	DET
eurjchem-2275	66	2	solvent	solvent	NOUN
eurjchem-2275	66	3	-	-	PUNCT
eurjchem-2275	66	4	accessible	accessible	ADJ
eurjchem-2275	66	5	surface	surface	NOUN
eurjchem-2275	66	6	is	be	AUX
eurjchem-2275	66	7	defined	define	VERB
eurjchem-2275	66	8	as	as	ADP
eurjchem-2275	66	9	the	the	DET
eurjchem-2275	66	10	exterior	exterior	ADJ
eurjchem-2275	66	11	area	area	NOUN
eurjchem-2275	66	12	surrounded	surround	VERB
eurjchem-2275	66	13	by	by	ADP
eurjchem-2275	66	14	the	the	DET
eurjchem-2275	66	15	solvent	solvent	ADJ
eurjchem-2275	66	16	probe	probe	NOUN
eurjchem-2275	66	17	(	(	PUNCT
eurjchem-2275	66	18	radius	radius	NOUN
eurjchem-2275	66	19	1.4	1.4	NUM
eurjchem-2275	66	20	å	å	NOUN
eurjchem-2275	66	21	)	)	PUNCT
eurjchem-2275	66	22	around	around	ADP
eurjchem-2275	66	23	the	the	DET
eurjchem-2275	66	24	molecule	molecule	NOUN
eurjchem-2275	66	25	.	.	PUNCT
eurjchem-2275	67	1	this	this	DET
eurjchem-2275	67	2	probe	probe	NOUN
eurjchem-2275	67	3	radius	radius	NOUN
eurjchem-2275	67	4	reflects	reflect	VERB
eurjchem-2275	67	5	the	the	DET
eurjchem-2275	67	6	role	role	NOUN
eurjchem-2275	67	7	of	of	ADP
eurjchem-2275	67	8	the	the	DET
eurjchem-2275	67	9	o	o	NOUN
eurjchem-2275	67	10	atom	atom	NOUN
eurjchem-2275	67	11	since	since	SCONJ
eurjchem-2275	67	12	the	the	DET
eurjchem-2275	67	13	acetone	acetone	NOUN
eurjchem-2275	67	14	solvent	solvent	NOUN
eurjchem-2275	67	15	is	be	AUX
eurjchem-2275	67	16	a	a	DET
eurjchem-2275	67	17	polar	polar	ADJ
eurjchem-2275	67	18	,	,	PUNCT
eurjchem-2275	67	19	hydrogen	hydrogen	NOUN
eurjchem-2275	67	20	bond	bond	NOUN
eurjchem-2275	67	21	acceptor	acceptor	NOUN
eurjchem-2275	67	22	only	only	ADV
eurjchem-2275	67	23	.	.	PUNCT
eurjchem-2275	68	1	calculation	calculation	NOUN
eurjchem-2275	68	2	of	of	ADP
eurjchem-2275	68	3	polar	polar	ADJ
eurjchem-2275	68	4	surface	surface	NOUN
eurjchem-2275	68	5	area	area	NOUN
eurjchem-2275	68	6	(	(	PUNCT
eurjchem-2275	68	7	psa	psa	NOUN
eurjchem-2275	68	8	)	)	PUNCT
eurjchem-2275	68	9	has	have	AUX
eurjchem-2275	68	10	been	be	AUX
eurjchem-2275	68	11	described	describe	VERB
eurjchem-2275	68	12	[	[	PRON
eurjchem-2275	68	13	22,23	22,23	NOUN
eurjchem-2275	68	14	]	]	X
eurjchem-2275	68	15	.	.	PUNCT
eurjchem-2275	69	1	2.2	2.2	NUM
eurjchem-2275	69	2	.	.	PUNCT
eurjchem-2275	70	1	nmr	nmr	NOUN
eurjchem-2275	70	2	measurements	measurement	NOUN
eurjchem-2275	70	3	of	of	ADP
eurjchem-2275	70	4	fibric	fibric	ADJ
eurjchem-2275	70	5	acids	acid	NOUN
eurjchem-2275	70	6	the	the	DET
eurjchem-2275	70	7	spectra	spectra	NOUN
eurjchem-2275	70	8	were	be	AUX
eurjchem-2275	70	9	recorded	record	VERB
eurjchem-2275	70	10	at	at	ADP
eurjchem-2275	70	11	300	300	NUM
eurjchem-2275	70	12	k	k	NOUN
eurjchem-2275	70	13	on	on	ADP
eurjchem-2275	70	14	a	a	DET
eurjchem-2275	70	15	bruker	bruker	PROPN
eurjchem-2275	70	16	avance	avance	PROPN
eurjchem-2275	70	17	iii	iii	PROPN
eurjchem-2275	70	18	400	400	NUM
eurjchem-2275	70	19	mhz	mhz	ADJ
eurjchem-2275	70	20	nmr	nmr	NOUN
eurjchem-2275	70	21	with	with	ADP
eurjchem-2275	70	22	a	a	DET
eurjchem-2275	70	23	broadband	broadband	NOUN
eurjchem-2275	70	24	probe	probe	NOUN
eurjchem-2275	70	25	and	and	CCONJ
eurjchem-2275	70	26	analyzed	analyze	VERB
eurjchem-2275	70	27	using	use	VERB
eurjchem-2275	70	28	the	the	DET
eurjchem-2275	70	29	bruker	bruker	PROPN
eurjchem-2275	70	30	topspin	topspin	PROPN
eurjchem-2275	70	31	software	software	NOUN
eurjchem-2275	70	32	package	package	NOUN
eurjchem-2275	70	33	[	[	X
eurjchem-2275	70	34	24	24	NUM
eurjchem-2275	70	35	]	]	PUNCT
eurjchem-2275	70	36	.	.	PUNCT
eurjchem-2275	71	1	bezafibrate	bezafibrate	PROPN
eurjchem-2275	71	2	(	(	PUNCT
eurjchem-2275	71	3	sigma	sigma	PROPN
eurjchem-2275	71	4	lot	lot	NOUN
eurjchem-2275	71	5	:	:	PUNCT
eurjchem-2275	71	6	046k1113	046k1113	NUM
eurjchem-2275	71	7	)	)	PUNCT
eurjchem-2275	71	8	,	,	PUNCT
eurjchem-2275	71	9	gemfibrozil	gemfibrozil	PROPN
eurjchem-2275	71	10	(	(	PUNCT
eurjchem-2275	71	11	sigma	sigma	PROPN
eurjchem-2275	71	12	lot	lot	NOUN
eurjchem-2275	71	13	:	:	PUNCT
eurjchem-2275	71	14	65h0084	65h0084	NUM
eurjchem-2275	71	15	)	)	PUNCT
eurjchem-2275	71	16	,	,	PUNCT
eurjchem-2275	71	17	and	and	CCONJ
eurjchem-2275	71	18	clofibric	clofibric	ADJ
eurjchem-2275	71	19	acid	acid	NOUN
eurjchem-2275	71	20	(	(	PUNCT
eurjchem-2275	71	21	aldrich	aldrich	PROPN
eurjchem-2275	71	22	lot	lot	NOUN
eurjchem-2275	71	23	:	:	PUNCT
eurjchem-2275	71	24	01220bt	01220bt	NOUN
eurjchem-2275	71	25	)	)	PUNCT
eurjchem-2275	71	26	were	be	AUX
eurjchem-2275	71	27	purchased	purchase	VERB
eurjchem-2275	71	28	commercially	commercially	ADV
eurjchem-2275	71	29	and	and	CCONJ
eurjchem-2275	71	30	used	use	VERB
eurjchem-2275	71	31	without	without	ADP
eurjchem-2275	71	32	further	further	ADJ
eurjchem-2275	71	33	modification	modification	NOUN
eurjchem-2275	71	34	.	.	PUNCT
eurjchem-2275	72	1	fen	fen	PROPN
eurjchem-2275	72	2	was	be	AUX
eurjchem-2275	72	3	synthesized	synthesize	VERB
eurjchem-2275	72	4	from	from	ADP
eurjchem-2275	72	5	fenofibrate	fenofibrate	NOUN
eurjchem-2275	72	6	as	as	SCONJ
eurjchem-2275	72	7	previously	previously	ADV
eurjchem-2275	72	8	reported	report	VERB
eurjchem-2275	72	9	and	and	CCONJ
eurjchem-2275	72	10	characterized	characterize	VERB
eurjchem-2275	72	11	[	[	X
eurjchem-2275	72	12	12	12	NUM
eurjchem-2275	72	13	]	]	PUNCT
eurjchem-2275	72	14	.	.	PUNCT
eurjchem-2275	73	1	each	each	DET
eurjchem-2275	73	2	compound	compound	NOUN
eurjchem-2275	73	3	was	be	AUX
eurjchem-2275	73	4	dissolved	dissolve	VERB
eurjchem-2275	73	5	in	in	ADP
eurjchem-2275	73	6	acetone	acetone	NOUN
eurjchem-2275	73	7	-	-	PUNCT
eurjchem-2275	73	8	d6	d6	NOUN
eurjchem-2275	73	9	(	(	PUNCT
eurjchem-2275	73	10	99.9	99.9	NUM
eurjchem-2275	73	11	atom	atom	NOUN
eurjchem-2275	73	12	%	%	NOUN
eurjchem-2275	73	13	d	d	NOUN
eurjchem-2275	73	14	)	)	PUNCT
eurjchem-2275	73	15	with	with	ADP
eurjchem-2275	73	16	0.3	0.3	NUM
eurjchem-2275	73	17	%	%	NOUN
eurjchem-2275	73	18	tms	tms	PROPN
eurjchem-2275	73	19	,	,	PUNCT
eurjchem-2275	73	20	purchased	purchase	VERB
eurjchem-2275	73	21	from	from	ADP
eurjchem-2275	73	22	sigma	sigma	PROPN
eurjchem-2275	73	23	.	.	PUNCT
eurjchem-2275	74	1	1h	1h	NUM
eurjchem-2275	74	2	spectra	spectra	PROPN
eurjchem-2275	74	3	utilized	utilize	VERB
eurjchem-2275	74	4	the	the	DET
eurjchem-2275	74	5	zg30	zg30	PROPN
eurjchem-2275	74	6	pulse	pulse	NOUN
eurjchem-2275	74	7	program	program	NOUN
eurjchem-2275	74	8	[	[	X
eurjchem-2275	74	9	24	24	NUM
eurjchem-2275	74	10	]	]	PUNCT
eurjchem-2275	74	11	,	,	PUNCT
eurjchem-2275	74	12	with	with	ADP
eurjchem-2275	74	13	digital	digital	ADJ
eurjchem-2275	74	14	quad	quad	ADJ
eurjchem-2275	74	15	detection	detection	NOUN
eurjchem-2275	74	16	(	(	PUNCT
eurjchem-2275	74	17	dqd	dqd	NOUN
eurjchem-2275	74	18	)	)	PUNCT
eurjchem-2275	74	19	acquisition	acquisition	NOUN
eurjchem-2275	74	20	mode	mode	NOUN
eurjchem-2275	74	21	.	.	PUNCT
eurjchem-2275	75	1	for	for	ADP
eurjchem-2275	75	2	each	each	DET
eurjchem-2275	75	3	spectrum	spectrum	NOUN
eurjchem-2275	75	4	,	,	PUNCT
eurjchem-2275	75	5	128	128	NUM
eurjchem-2275	75	6	scans	scan	NOUN
eurjchem-2275	75	7	were	be	AUX
eurjchem-2275	75	8	collected	collect	VERB
eurjchem-2275	75	9	with	with	ADP
eurjchem-2275	75	10	a	a	DET
eurjchem-2275	75	11	d1	d1	ADJ
eurjchem-2275	75	12	delay	delay	NOUN
eurjchem-2275	75	13	of	of	ADP
eurjchem-2275	75	14	2.0	2.0	NUM
eurjchem-2275	75	15	s	s	NOUN
eurjchem-2275	75	16	;	;	PUNCT
eurjchem-2275	75	17	a	a	DET
eurjchem-2275	75	18	90	90	NUM
eurjchem-2275	75	19	°	°	NUM
eurjchem-2275	75	20	pulse	pulse	NOUN
eurjchem-2275	75	21	time	time	NOUN
eurjchem-2275	75	22	of	of	ADP
eurjchem-2275	75	23	7.83	7.83	NUM
eurjchem-2275	75	24	μs	μs	NUM
eurjchem-2275	75	25	;	;	PUNCT
eurjchem-2275	75	26	a	a	DET
eurjchem-2275	75	27	sweep	sweep	NOUN
eurjchem-2275	75	28	width	width	NOUN
eurjchem-2275	75	29	(	(	PUNCT
eurjchem-2275	75	30	sw	sw	NOUN
eurjchem-2275	75	31	)	)	PUNCT
eurjchem-2275	75	32	range	range	NOUN
eurjchem-2275	75	33	of	of	ADP
eurjchem-2275	75	34	20.55	20.55	NUM
eurjchem-2275	75	35	-	-	SYM
eurjchem-2275	75	36	20.68	20.68	NUM
eurjchem-2275	75	37	ppm	ppm	NOUN
eurjchem-2275	75	38	;	;	PUNCT
eurjchem-2275	75	39	o1	o1	NOUN
eurjchem-2275	75	40	signal	signal	NOUN
eurjchem-2275	75	41	range	range	NOUN
eurjchem-2275	75	42	of	of	ADP
eurjchem-2275	75	43	2470.79	2470.79	NUM
eurjchem-2275	75	44	-	-	SYM
eurjchem-2275	75	45	2471.09	2471.09	NUM
eurjchem-2275	75	46	hz	hz	NOUN
eurjchem-2275	75	47	;	;	PUNCT
eurjchem-2275	75	48	and	and	CCONJ
eurjchem-2275	75	49	the	the	DET
eurjchem-2275	75	50	receiver	receiver	NOUN
eurjchem-2275	75	51	gain	gain	NOUN
eurjchem-2275	75	52	set	set	VERB
eurjchem-2275	75	53	to	to	ADP
eurjchem-2275	75	54	143.7	143.7	NUM
eurjchem-2275	75	55	for	for	ADP
eurjchem-2275	75	56	beza	beza	NOUN
eurjchem-2275	75	57	,	,	PUNCT
eurjchem-2275	75	58	645.1	645.1	NUM
eurjchem-2275	75	59	for	for	ADP
eurjchem-2275	75	60	clo	clo	PROPN
eurjchem-2275	75	61	,	,	PUNCT
eurjchem-2275	75	62	12.7	12.7	NUM
eurjchem-2275	75	63	for	for	ADP
eurjchem-2275	75	64	gem	gem	NOUN
eurjchem-2275	75	65	,	,	PUNCT
eurjchem-2275	75	66	and	and	CCONJ
eurjchem-2275	75	67	181	181	NUM
eurjchem-2275	75	68	for	for	ADP
eurjchem-2275	75	69	fen	fen	PROPN
eurjchem-2275	75	70	.	.	PROPN
eurjchem-2275	75	71	13c	13c	NOUN
eurjchem-2275	75	72	spectra	spectra	NOUN
eurjchem-2275	75	73	were	be	AUX
eurjchem-2275	75	74	run	run	VERB
eurjchem-2275	75	75	proton	proton	NOUN
eurjchem-2275	75	76	decoupled	decouple	VERB
eurjchem-2275	75	77	(	(	PUNCT
eurjchem-2275	75	78	pulse	pulse	NOUN
eurjchem-2275	75	79	program	program	NOUN
eurjchem-2275	75	80	zgpg30	zgpg30	NOUN
eurjchem-2275	75	81	)	)	PUNCT
eurjchem-2275	75	82	with	with	ADP
eurjchem-2275	75	83	qsim	qsim	PROPN
eurjchem-2275	75	84	acquisition	acquisition	NOUN
eurjchem-2275	75	85	mode	mode	NOUN
eurjchem-2275	75	86	,	,	PUNCT
eurjchem-2275	75	87	1024	1024	NUM
eurjchem-2275	75	88	scans	scan	NOUN
eurjchem-2275	75	89	,	,	PUNCT
eurjchem-2275	75	90	a	a	DET
eurjchem-2275	75	91	90	90	NUM
eurjchem-2275	75	92	°	°	NUM
eurjchem-2275	75	93	pulse	pulse	NOUN
eurjchem-2275	75	94	time	time	NOUN
eurjchem-2275	75	95	of	of	ADP
eurjchem-2275	75	96	14.90	14.90	NUM
eurjchem-2275	75	97	μs	μs	NUM
eurjchem-2275	75	98	,	,	PUNCT
eurjchem-2275	75	99	and	and	CCONJ
eurjchem-2275	75	100	a	a	DET
eurjchem-2275	75	101	d1	d1	ADJ
eurjchem-2275	75	102	delay	delay	NOUN
eurjchem-2275	75	103	of	of	ADP
eurjchem-2275	75	104	2.0	2.0	NUM
eurjchem-2275	75	105	s.	s.	PROPN
eurjchem-2275	75	106	the	the	DET
eurjchem-2275	75	107	sw	sw	PROPN
eurjchem-2275	75	108	range	range	NOUN
eurjchem-2275	75	109	was	be	AUX
eurjchem-2275	75	110	238.32	238.32	NUM
eurjchem-2275	75	111	-	-	SYM
eurjchem-2275	75	112	238.88	238.88	NUM
eurjchem-2275	75	113	ppm	ppm	NOUN
eurjchem-2275	75	114	,	,	PUNCT
eurjchem-2275	75	115	the	the	DET
eurjchem-2275	75	116	13c	13c	NOUN
eurjchem-2275	75	117	o1	o1	NOUN
eurjchem-2275	75	118	range	range	NOUN
eurjchem-2275	75	119	was	be	AUX
eurjchem-2275	75	120	10060.80	10060.80	NUM
eurjchem-2275	75	121	-	-	SYM
eurjchem-2275	75	122	10061.31	10061.31	NUM
eurjchem-2275	75	123	hz	hz	VERB
eurjchem-2275	75	124	,	,	PUNCT
eurjchem-2275	75	125	the	the	DET
eurjchem-2275	75	126	1h	1h	NUM
eurjchem-2275	75	127	o2	o2	ADJ
eurjchem-2275	75	128	range	range	NOUN
eurjchem-2275	75	129	was	be	AUX
eurjchem-2275	75	130	1600.52	1600.52	NUM
eurjchem-2275	75	131	-	-	SYM
eurjchem-2275	75	132	1600.60	1600.60	NUM
eurjchem-2275	75	133	hz	hz	VERB
eurjchem-2275	75	134	,	,	PUNCT
eurjchem-2275	75	135	and	and	CCONJ
eurjchem-2275	75	136	the	the	DET
eurjchem-2275	75	137	receiver	receiver	ADJ
eurjchem-2275	75	138	gain	gain	NOUN
eurjchem-2275	75	139	was	be	AUX
eurjchem-2275	75	140	181	181	NUM
eurjchem-2275	75	141	for	for	ADP
eurjchem-2275	75	142	beza	beza	NOUN
eurjchem-2275	75	143	,	,	PUNCT
eurjchem-2275	75	144	203.2	203.2	NUM
eurjchem-2275	75	145	for	for	ADP
eurjchem-2275	75	146	clo	clo	PROPN
eurjchem-2275	75	147	,	,	PUNCT
eurjchem-2275	75	148	and	and	CCONJ
eurjchem-2275	75	149	2050	2050	NUM
eurjchem-2275	75	150	for	for	ADP
eurjchem-2275	75	151	fen	fen	PROPN
eurjchem-2275	75	152	and	and	CCONJ
eurjchem-2275	75	153	gem	gem	NOUN
eurjchem-2275	75	154	.	.	PUNCT
eurjchem-2275	76	1	188	188	NUM
eurjchem-2275	76	2	miller	miller	PROPN
eurjchem-2275	76	3	et	et	PROPN
eurjchem-2275	76	4	al	al	PROPN
eurjchem-2275	76	5	.	.	PUNCT
eurjchem-2275	76	6	/	/	SYM
eurjchem-2275	76	7	european	european	PROPN
eurjchem-2275	76	8	journal	journal	PROPN
eurjchem-2275	76	9	of	of	ADP
eurjchem-2275	76	10	chemistry	chemistry	NOUN
eurjchem-2275	76	11	13	13	NUM
eurjchem-2275	76	12	(	(	PUNCT
eurjchem-2275	76	13	2	2	NUM
eurjchem-2275	76	14	)	)	PUNCT
eurjchem-2275	76	15	(	(	PUNCT
eurjchem-2275	76	16	2022	2022	NUM
eurjchem-2275	76	17	)	)	PUNCT
eurjchem-2275	76	18	186	186	NUM
eurjchem-2275	76	19	-	-	SYM
eurjchem-2275	76	20	195	195	NUM
eurjchem-2275	76	21	2022	2022	NUM
eurjchem-2275	76	22	–	–	PUNCT
eurjchem-2275	76	23	european	european	ADJ
eurjchem-2275	76	24	journal	journal	NOUN
eurjchem-2275	76	25	of	of	ADP
eurjchem-2275	76	26	chemistry	chemistry	NOUN
eurjchem-2275	76	27	–	–	PUNCT
eurjchem-2275	76	28	cc	cc	NOUN
eurjchem-2275	76	29	by	by	ADP
eurjchem-2275	76	30	nc	nc	PROPN
eurjchem-2275	76	31	–	–	PUNCT
eurjchem-2275	76	32	doi	doi	NOUN
eurjchem-2275	76	33	:	:	PUNCT
eurjchem-2275	76	34	10.5155	10.5155	NUM
eurjchem-2275	76	35	/	/	SYM
eurjchem-2275	76	36	eurjchem.13.2.186	eurjchem.13.2.186	PROPN
eurjchem-2275	76	37	-	-	SYM
eurjchem-2275	76	38	195.2275	195.2275	NUM
eurjchem-2275	76	39	table	table	NOUN
eurjchem-2275	76	40	1	1	NUM
eurjchem-2275	76	41	.	.	PUNCT
eurjchem-2275	76	42	absolute	absolute	ADJ
eurjchem-2275	76	43	thermochemical	thermochemical	ADJ
eurjchem-2275	76	44	parameters	parameter	NOUN
eurjchem-2275	76	45	of	of	ADP
eurjchem-2275	76	46	fibric	fibric	ADJ
eurjchem-2275	76	47	acid	acid	NOUN
eurjchem-2275	76	48	conformers	conformer	NOUN
eurjchem-2275	76	49	in	in	ADP
eurjchem-2275	76	50	acetone	acetone	NOUN
eurjchem-2275	76	51	solvent	solvent	NOUN
eurjchem-2275	76	52	from	from	ADP
eurjchem-2275	76	53	optimized	optimize	VERB
eurjchem-2275	76	54	geometries	geometry	NOUN
eurjchem-2275	76	55	by	by	ADP
eurjchem-2275	76	56	b3lyp/6	b3lyp/6	PROPN
eurjchem-2275	76	57	-	-	NOUN
eurjchem-2275	76	58	31g(d	31g(d	NOUN
eurjchem-2275	76	59	)	)	PUNCT
eurjchem-2275	76	60	polarizable	polarizable	ADJ
eurjchem-2275	76	61	continuum	continuum	PROPN
eurjchem-2275	76	62	model	model	NOUN
eurjchem-2275	76	63	.	.	PUNCT
eurjchem-2275	77	1	conformers	conformer	NOUN
eurjchem-2275	77	2	are	be	AUX
eurjchem-2275	77	3	ordered	order	VERB
eurjchem-2275	77	4	by	by	ADP
eurjchem-2275	77	5	increasing	increase	VERB
eurjchem-2275	77	6	g298	g298	PROPN
eurjchem-2275	77	7	°	°	PROPN
eurjchem-2275	77	8	.	.	PROPN
eurjchem-2275	77	9	1	1	NUM
eurjchem-2275	77	10	a.u	a.u	PROPN
eurjchem-2275	77	11	.	.	PROPN
eurjchem-2275	77	12	(	(	PUNCT
eurjchem-2275	77	13	atomic	atomic	ADJ
eurjchem-2275	77	14	unit	unit	NOUN
eurjchem-2275	77	15	)	)	PUNCT
eurjchem-2275	77	16	=	=	SYM
eurjchem-2275	78	1	1	1	NUM
eurjchem-2275	78	2	hartree	hartree	NOUN
eurjchem-2275	78	3	=	=	VERB
eurjchem-2275	78	4	2625.5	2625.5	NUM
eurjchem-2275	78	5	kj	kj	NOUN
eurjchem-2275	78	6	/	/	SYM
eurjchem-2275	78	7	mol	mol	ADP
eurjchem-2275	78	8	fibric	fibric	ADJ
eurjchem-2275	78	9	acid	acid	NOUN
eurjchem-2275	78	10	conformer	conformer	NOUN
eurjchem-2275	78	11	e	e	PROPN
eurjchem-2275	78	12	(	(	PUNCT
eurjchem-2275	78	13	a.u	a.u	PROPN
eurjchem-2275	78	14	.	.	PUNCT
eurjchem-2275	78	15	)	)	PUNCT
eurjchem-2275	79	1	h298	h298	PROPN
eurjchem-2275	79	2	°	°	PROPN
eurjchem-2275	79	3	(	(	PUNCT
eurjchem-2275	79	4	a.u	a.u	PROPN
eurjchem-2275	79	5	.	.	PUNCT
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eurjchem-2275	82	3	a.u	a.u	PROPN
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eurjchem-2275	82	5	)	)	PUNCT
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eurjchem-2275	84	6	b	b	NOUN
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eurjchem-2275	84	8	-1551.573846	-1551.573846	ADP
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eurjchem-2275	86	1	d	d	NOUN
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eurjchem-2275	86	4	739.40	739.40	NUM
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eurjchem-2275	87	1	e	e	X
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eurjchem-2275	87	7	a	a	DET
eurjchem-2275	87	8	-1073.570292	-1073.570292	NOUN
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eurjchem-2275	89	3	b	b	NOUN
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eurjchem-2275	89	5	-1073.359748	-1073.359748	ADP
eurjchem-2275	90	1	504.34	504.34	NUM
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eurjchem-2275	90	3	c	c	PROPN
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eurjchem-2275	92	1	d	d	X
eurjchem-2275	92	2	-1073.569192	-1073.569192	X
eurjchem-2275	92	3	-1073.360291	-1073.360291	ADP
eurjchem-2275	92	4	491.91	491.91	NUM
eurjchem-2275	92	5	-1073.416150	-1073.416150	ADP
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eurjchem-2275	92	7	a	a	PRON
eurjchem-2275	92	8	-1417.958000	-1417.958000	INTJ
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eurjchem-2275	92	10	653.58	653.58	NUM
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eurjchem-2275	92	12	b	b	NOUN
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eurjchem-2275	93	1	c	c	NOUN
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eurjchem-2275	94	1	631.74	631.74	NUM
eurjchem-2275	94	2	-1417.725009	-1417.725009	NOUN
eurjchem-2275	94	3	d	d	X
eurjchem-2275	94	4	-1417.959552	-1417.959552	ADP
eurjchem-2275	94	5	-1417.653115	-1417.653115	PROPN
eurjchem-2275	94	6	632.62	632.62	NUM
eurjchem-2275	94	7	-1417.724954	-1417.724954	PRON
eurjchem-2275	94	8	e	e	PROPN
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eurjchem-2275	94	11	631.62	631.62	NUM
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eurjchem-2275	94	13	f	f	PROPN
eurjchem-2275	94	14	-1417.959585	-1417.959585	PROPN
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eurjchem-2275	94	16	631.32	631.32	NUM
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eurjchem-2275	95	1	h	h	NOUN
eurjchem-2275	95	2	-1417.958749	-1417.958749	INTJ
eurjchem-2275	96	1	-1417.652313	-1417.652313	NUM
eurjchem-2275	97	1	635.47	635.47	NUM
eurjchem-2275	97	2	-1417.724477	-1417.724477	NOUN
eurjchem-2275	97	3	gem	gem	NOUN
eurjchem-2275	97	4	a	a	DET
eurjchem-2275	97	5	-810.554084	-810.554084	NUM
eurjchem-2275	98	1	-810.187362	-810.187362	NUM
eurjchem-2275	98	2	635.21	635.21	NUM
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eurjchem-2275	98	4	b	b	PROPN
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eurjchem-2275	98	9	c	c	NOUN
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eurjchem-2275	99	1	d	d	X
eurjchem-2275	99	2	-810.551070	-810.551070	INTJ
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eurjchem-2275	99	6	e	e	NOUN
eurjchem-2275	99	7	-810.550508	-810.550508	PROPN
eurjchem-2275	99	8	-810.183680	-810.183680	NUM
eurjchem-2275	99	9	635.38	635.38	NUM
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eurjchem-2275	99	11	f	f	PROPN
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eurjchem-2275	100	5	g	g	PROPN
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eurjchem-2275	100	9	-810.255567	-810.255567	ADJ
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eurjchem-2275	100	12	.	.	PUNCT
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eurjchem-2275	101	3	in	in	ADP
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eurjchem-2275	101	5	,	,	PUNCT
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eurjchem-2275	101	7	°	°	NUM
eurjchem-2275	101	8	and	and	CCONJ
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eurjchem-2275	101	11	for	for	ADP
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eurjchem-2275	101	16	moments	moment	NOUN
eurjchem-2275	101	17	by	by	ADP
eurjchem-2275	101	18	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	101	19	-	-	X
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eurjchem-2275	101	22	*	*	NOUN
eurjchem-2275	101	23	,	,	PUNCT
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eurjchem-2275	101	28	and	and	CCONJ
eurjchem-2275	101	29	total	total	ADJ
eurjchem-2275	101	30	and	and	CCONJ
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eurjchem-2275	101	33	areas	area	NOUN
eurjchem-2275	101	34	,	,	PUNCT
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eurjchem-2275	101	37	-	-	PUNCT
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eurjchem-2275	101	40	*	*	PUNCT
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eurjchem-2275	101	42	.	.	PUNCT
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eurjchem-2275	102	2	/	/	SYM
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eurjchem-2275	102	4	atoms	atom	NOUN
eurjchem-2275	102	5	δg	δg	VERB
eurjchem-2275	102	6	°	°	NOUN
eurjchem-2275	102	7	(	(	PUNCT
eurjchem-2275	102	8	kj	kj	PROPN
eurjchem-2275	102	9	/	/	SYM
eurjchem-2275	102	10	mol	mol	PROPN
eurjchem-2275	102	11	)	)	PUNCT
eurjchem-2275	102	12	boltzmann	boltzmann	PROPN
eurjchem-2275	102	13	factor	factor	PROPN
eurjchem-2275	102	14	µ	µ	PROPN
eurjchem-2275	102	15	(	(	PUNCT
eurjchem-2275	102	16	d	d	NOUN
eurjchem-2275	102	17	)	)	PUNCT
eurjchem-2275	102	18	volume	volume	NOUN
eurjchem-2275	102	19	(	(	PUNCT
eurjchem-2275	102	20	å3	å3	PROPN
eurjchem-2275	102	21	)	)	PUNCT
eurjchem-2275	102	22	surface	surface	NOUN
eurjchem-2275	102	23	(	(	PUNCT
eurjchem-2275	102	24	å2	å2	PROPN
eurjchem-2275	102	25	)	)	PUNCT
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eurjchem-2275	102	27	(	(	PUNCT
eurjchem-2275	102	28	å2	å2	PROPN
eurjchem-2275	102	29	)	)	PUNCT
eurjchem-2275	102	30	rmsd	rmsd	NOUN
eurjchem-2275	102	31	(	(	PUNCT
eurjchem-2275	102	32	å	å	NOUN
eurjchem-2275	102	33	)	)	PUNCT
eurjchem-2275	102	34	a	a	DET
eurjchem-2275	102	35	0.00	0.00	NUM
eurjchem-2275	102	36	1.000	1.000	NUM
eurjchem-2275	102	37	6.80	6.80	NUM
eurjchem-2275	102	38	371	371	NUM
eurjchem-2275	102	39	352	352	NUM
eurjchem-2275	102	40	61.3	61.3	NUM
eurjchem-2275	102	41	0	0	NUM
eurjchem-2275	102	42	b	b	X
eurjchem-2275	102	43	2.45	2.45	NUM
eurjchem-2275	102	44	0.372	0.372	NUM
eurjchem-2275	102	45	6.65	6.65	NUM
eurjchem-2275	102	46	373	373	NUM
eurjchem-2275	102	47	352	352	NUM
eurjchem-2275	102	48	61.4	61.4	NUM
eurjchem-2275	102	49	1.12	1.12	NUM
eurjchem-2275	102	50	c	c	NOUN
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eurjchem-2275	102	52	0.090	0.090	NUM
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eurjchem-2275	102	54	376	376	NUM
eurjchem-2275	102	55	351	351	NUM
eurjchem-2275	102	56	63.2	63.2	NUM
eurjchem-2275	102	57	3.44	3.44	NUM
eurjchem-2275	102	58	d	d	ADP
eurjchem-2275	102	59	8.55	8.55	NUM
eurjchem-2275	102	60	0.032	0.032	NUM
eurjchem-2275	102	61	7.17	7.17	NUM
eurjchem-2275	102	62	370	370	NUM
eurjchem-2275	102	63	356	356	NUM
eurjchem-2275	102	64	63.8	63.8	NUM
eurjchem-2275	102	65	1.48	1.48	NUM
eurjchem-2275	102	66	e	e	ADP
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eurjchem-2275	102	68	0.017	0.017	NUM
eurjchem-2275	102	69	7.38	7.38	NUM
eurjchem-2275	102	70	381	381	NUM
eurjchem-2275	102	71	349	349	NUM
eurjchem-2275	102	72	63.2	63.2	NUM
eurjchem-2275	102	73	2.95	2.95	NUM
eurjchem-2275	102	74	*	*	PUNCT
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eurjchem-2275	102	79	=	=	PUNCT
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eurjchem-2275	103	1	(	(	PUNCT
eurjchem-2275	103	2	a	a	X
eurjchem-2275	103	3	)	)	PUNCT
eurjchem-2275	103	4	(	(	PUNCT
eurjchem-2275	103	5	b	b	X
eurjchem-2275	103	6	)	)	PUNCT
eurjchem-2275	103	7	(	(	PUNCT
eurjchem-2275	103	8	c	c	X
eurjchem-2275	103	9	)	)	PUNCT
eurjchem-2275	103	10	(	(	PUNCT
eurjchem-2275	103	11	d	d	X
eurjchem-2275	103	12	)	)	PUNCT
eurjchem-2275	103	13	(	(	PUNCT
eurjchem-2275	103	14	e	e	NOUN
eurjchem-2275	103	15	)	)	PUNCT
eurjchem-2275	103	16	figure	figure	NOUN
eurjchem-2275	103	17	2	2	NUM
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eurjchem-2275	103	21	-	-	PUNCT
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eurjchem-2275	103	28	.	.	PUNCT
eurjchem-2275	104	1	3	3	X
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eurjchem-2275	104	19	,	,	PUNCT
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eurjchem-2275	104	21	,	,	PUNCT
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eurjchem-2275	104	23	,	,	PUNCT
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eurjchem-2275	104	26	group(s	group(s	NOUN
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eurjchem-2275	104	31	.	.	PUNCT
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eurjchem-2275	105	5	,	,	PUNCT
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eurjchem-2275	105	19	in	in	ADP
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eurjchem-2275	105	21	to	to	ADP
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eurjchem-2275	105	28	.	.	PUNCT
eurjchem-2275	106	1	3.1	3.1	NUM
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eurjchem-2275	106	11	,	,	PUNCT
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eurjchem-2275	106	17	gem	gem	NOUN
eurjchem-2275	106	18	are	be	AUX
eurjchem-2275	106	19	shown	show	VERB
eurjchem-2275	106	20	in	in	ADP
eurjchem-2275	106	21	figures	figure	NOUN
eurjchem-2275	106	22	2	2	NUM
eurjchem-2275	106	23	-	-	SYM
eurjchem-2275	106	24	5	5	NUM
eurjchem-2275	106	25	.	.	PUNCT
eurjchem-2275	107	1	a	a	DET
eurjchem-2275	107	2	table	table	NOUN
eurjchem-2275	107	3	of	of	ADP
eurjchem-2275	107	4	optimized	optimize	VERB
eurjchem-2275	107	5	e	e	NOUN
eurjchem-2275	107	6	and	and	CCONJ
eurjchem-2275	107	7	h	h	NOUN
eurjchem-2275	107	8	°	°	PROPN
eurjchem-2275	107	9	,	,	PUNCT
eurjchem-2275	107	10	s	s	NOUN
eurjchem-2275	107	11	°	°	PROPN
eurjchem-2275	107	12	,	,	PUNCT
eurjchem-2275	107	13	and	and	CCONJ
eurjchem-2275	107	14	g	g	NOUN
eurjchem-2275	107	15	°	°	NOUN
eurjchem-2275	107	16	at	at	ADP
eurjchem-2275	107	17	298	298	NUM
eurjchem-2275	107	18	k	k	NOUN
eurjchem-2275	107	19	for	for	ADP
eurjchem-2275	107	20	each	each	DET
eurjchem-2275	107	21	conformer	conformer	NOUN
eurjchem-2275	107	22	is	be	AUX
eurjchem-2275	107	23	in	in	ADP
eurjchem-2275	107	24	table	table	NOUN
eurjchem-2275	107	25	1	1	NUM
eurjchem-2275	107	26	.	.	PUNCT
eurjchem-2275	108	1	their	their	PRON
eurjchem-2275	108	2	relative	relative	ADJ
eurjchem-2275	108	3	free	free	ADJ
eurjchem-2275	108	4	energies	energy	NOUN
eurjchem-2275	108	5	,	,	PUNCT
eurjchem-2275	108	6	n	n	CCONJ
eurjchem-2275	108	7	/	/	SYM
eurjchem-2275	108	8	na	na	PROPN
eurjchem-2275	108	9	boltzmann	boltzmann	PROPN
eurjchem-2275	108	10	populations	population	NOUN
eurjchem-2275	108	11	,	,	PUNCT
eurjchem-2275	108	12	vdw	vdw	NOUN
eurjchem-2275	108	13	solvent	solvent	VERB
eurjchem-2275	108	14	-	-	PUNCT
eurjchem-2275	108	15	accessible	accessible	ADJ
eurjchem-2275	108	16	surface	surface	NOUN
eurjchem-2275	108	17	area	area	NOUN
eurjchem-2275	108	18	,	,	PUNCT
eurjchem-2275	108	19	volume	volume	NOUN
eurjchem-2275	108	20	,	,	PUNCT
eurjchem-2275	108	21	dipole	dipole	NOUN
eurjchem-2275	108	22	moments	moment	NOUN
eurjchem-2275	108	23	,	,	PUNCT
eurjchem-2275	108	24	and	and	CCONJ
eurjchem-2275	108	25	rmsd	rmsd	VERB
eurjchem-2275	108	26	relative	relative	ADJ
eurjchem-2275	108	27	to	to	ADP
eurjchem-2275	108	28	the	the	DET
eurjchem-2275	108	29	most	most	ADV
eurjchem-2275	108	30	stable	stable	ADJ
eurjchem-2275	108	31	conformation	conformation	NOUN
eurjchem-2275	108	32	are	be	AUX
eurjchem-2275	108	33	shown	show	VERB
eurjchem-2275	108	34	in	in	ADP
eurjchem-2275	108	35	tables	table	NOUN
eurjchem-2275	108	36	2	2	NUM
eurjchem-2275	108	37	-	-	SYM
eurjchem-2275	108	38	5	5	NUM
eurjchem-2275	108	39	.	.	PUNCT
eurjchem-2275	108	40	vdw	vdw	NOUN
eurjchem-2275	108	41	volume	volume	NOUN
eurjchem-2275	108	42	and	and	CCONJ
eurjchem-2275	108	43	surface	surface	NOUN
eurjchem-2275	108	44	areas	area	NOUN
eurjchem-2275	108	45	,	,	PUNCT
eurjchem-2275	108	46	which	which	PRON
eurjchem-2275	108	47	are	be	AUX
eurjchem-2275	108	48	independent	independent	ADJ
eurjchem-2275	108	49	of	of	ADP
eurjchem-2275	108	50	conformer	conformer	NOUN
eurjchem-2275	108	51	for	for	ADP
eurjchem-2275	108	52	each	each	DET
eurjchem-2275	108	53	acid	acid	NOUN
eurjchem-2275	108	54	,	,	PUNCT
eurjchem-2275	108	55	are	be	AUX
eurjchem-2275	108	56	shown	show	VERB
eurjchem-2275	108	57	in	in	ADP
eurjchem-2275	108	58	table	table	NOUN
eurjchem-2275	108	59	6	6	NUM
eurjchem-2275	108	60	.	.	PUNCT
eurjchem-2275	109	1	miller	miller	PROPN
eurjchem-2275	109	2	et	et	PROPN
eurjchem-2275	109	3	al	al	PROPN
eurjchem-2275	109	4	.	.	PUNCT
eurjchem-2275	109	5	/	/	SYM
eurjchem-2275	109	6	european	european	PROPN
eurjchem-2275	109	7	journal	journal	PROPN
eurjchem-2275	109	8	of	of	ADP
eurjchem-2275	109	9	chemistry	chemistry	NOUN
eurjchem-2275	109	10	13	13	NUM
eurjchem-2275	109	11	(	(	PUNCT
eurjchem-2275	109	12	2	2	NUM
eurjchem-2275	109	13	)	)	PUNCT
eurjchem-2275	109	14	(	(	PUNCT
eurjchem-2275	109	15	2022	2022	NUM
eurjchem-2275	109	16	)	)	PUNCT
eurjchem-2275	109	17	186	186	NUM
eurjchem-2275	109	18	-	-	SYM
eurjchem-2275	109	19	195	195	NUM
eurjchem-2275	109	20	189	189	NUM
eurjchem-2275	109	21	2022	2022	NUM
eurjchem-2275	109	22	–	–	PUNCT
eurjchem-2275	109	23	european	european	ADJ
eurjchem-2275	109	24	journal	journal	NOUN
eurjchem-2275	109	25	of	of	ADP
eurjchem-2275	109	26	chemistry	chemistry	NOUN
eurjchem-2275	109	27	–	–	PUNCT
eurjchem-2275	109	28	cc	cc	NOUN
eurjchem-2275	109	29	by	by	ADP
eurjchem-2275	109	30	nc	nc	PROPN
eurjchem-2275	109	31	–	–	PUNCT
eurjchem-2275	109	32	doi	doi	NOUN
eurjchem-2275	109	33	:	:	PUNCT
eurjchem-2275	109	34	10.5155	10.5155	NUM
eurjchem-2275	109	35	/	/	SYM
eurjchem-2275	109	36	eurjchem.13.2.186	eurjchem.13.2.186	PROPN
eurjchem-2275	109	37	-	-	SYM
eurjchem-2275	109	38	195.2275	195.2275	NUM
eurjchem-2275	109	39	table	table	NOUN
eurjchem-2275	109	40	3	3	NUM
eurjchem-2275	109	41	.	.	PUNCT
eurjchem-2275	110	1	clo	clo	PROPN
eurjchem-2275	110	2	conformers	conformer	NOUN
eurjchem-2275	110	3	in	in	ADP
eurjchem-2275	110	4	acetone	acetone	NOUN
eurjchem-2275	110	5	,	,	PUNCT
eurjchem-2275	110	6	δg	δg	NOUN
eurjchem-2275	110	7	°	°	NUM
eurjchem-2275	110	8	and	and	CCONJ
eurjchem-2275	110	9	boltzmann	boltzmann	PROPN
eurjchem-2275	110	10	factor	factor	NOUN
eurjchem-2275	110	11	for	for	ADP
eurjchem-2275	110	12	298	298	NUM
eurjchem-2275	110	13	k	k	NOUN
eurjchem-2275	110	14	with	with	ADP
eurjchem-2275	110	15	dipole	dipole	NOUN
eurjchem-2275	110	16	moments	moment	NOUN
eurjchem-2275	110	17	by	by	ADP
eurjchem-2275	110	18	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	110	19	-	-	X
eurjchem-2275	110	20	31	31	NUM
eurjchem-2275	110	21	g	g	NOUN
eurjchem-2275	110	22	*	*	NOUN
eurjchem-2275	110	23	,	,	PUNCT
eurjchem-2275	110	24	solvent	solvent	ADJ
eurjchem-2275	110	25	-	-	PUNCT
eurjchem-2275	110	26	accessible	accessible	ADJ
eurjchem-2275	110	27	volumes	volume	NOUN
eurjchem-2275	110	28	and	and	CCONJ
eurjchem-2275	110	29	total	total	ADJ
eurjchem-2275	110	30	and	and	CCONJ
eurjchem-2275	110	31	polar	polar	ADJ
eurjchem-2275	110	32	surface	surface	NOUN
eurjchem-2275	110	33	areas	area	NOUN
eurjchem-2275	110	34	,	,	PUNCT
eurjchem-2275	110	35	and	and	CCONJ
eurjchem-2275	110	36	atom	atom	NOUN
eurjchem-2275	110	37	-	-	PUNCT
eurjchem-2275	110	38	positional	positional	ADJ
eurjchem-2275	110	39	rmsds	rmsds	NOUN
eurjchem-2275	110	40	*	*	PUNCT
eurjchem-2275	110	41	*	*	NOUN
eurjchem-2275	110	42	.	.	PUNCT
eurjchem-2275	111	1	conformer	conformer	PROPN
eurjchem-2275	111	2	/	/	SYM
eurjchem-2275	111	3	25	25	NUM
eurjchem-2275	111	4	atoms	atom	NOUN
eurjchem-2275	111	5	δg	δg	VERB
eurjchem-2275	111	6	°	°	NOUN
eurjchem-2275	111	7	(	(	PUNCT
eurjchem-2275	111	8	kj	kj	PROPN
eurjchem-2275	111	9	/	/	SYM
eurjchem-2275	111	10	mol	mol	PROPN
eurjchem-2275	111	11	)	)	PUNCT
eurjchem-2275	111	12	boltzmann	boltzmann	PROPN
eurjchem-2275	111	13	factor	factor	PROPN
eurjchem-2275	111	14	µ	µ	PROPN
eurjchem-2275	111	15	(	(	PUNCT
eurjchem-2275	111	16	d	d	NOUN
eurjchem-2275	111	17	)	)	PUNCT
eurjchem-2275	111	18	volume	volume	NOUN
eurjchem-2275	111	19	(	(	PUNCT
eurjchem-2275	111	20	å3	å3	PROPN
eurjchem-2275	111	21	)	)	PUNCT
eurjchem-2275	111	22	surface	surface	NOUN
eurjchem-2275	111	23	(	(	PUNCT
eurjchem-2275	111	24	å2	å2	PROPN
eurjchem-2275	111	25	)	)	PUNCT
eurjchem-2275	111	26	psa	psa	PROPN
eurjchem-2275	111	27	(	(	PUNCT
eurjchem-2275	111	28	å2	å2	PROPN
eurjchem-2275	111	29	)	)	PUNCT
eurjchem-2275	111	30	rmsd	rmsd	NOUN
eurjchem-2275	111	31	(	(	PUNCT
eurjchem-2275	111	32	å	å	NOUN
eurjchem-2275	111	33	)	)	PUNCT
eurjchem-2275	111	34	a	a	DET
eurjchem-2275	111	35	0.00	0.00	NUM
eurjchem-2275	111	36	1.000	1.000	NUM
eurjchem-2275	111	37	3.32	3.32	NUM
eurjchem-2275	111	38	211	211	NUM
eurjchem-2275	111	39	207	207	NUM
eurjchem-2275	111	40	37.3	37.3	NUM
eurjchem-2275	111	41	0	0	NUM
eurjchem-2275	111	42	b	b	X
eurjchem-2275	111	43	9.06	9.06	NUM
eurjchem-2275	111	44	0.026	0.026	NUM
eurjchem-2275	111	45	2.57	2.57	NUM
eurjchem-2275	111	46	212	212	NUM
eurjchem-2275	111	47	208	208	NUM
eurjchem-2275	111	48	40.1	40.1	NUM
eurjchem-2275	111	49	1.50	1.50	NUM
eurjchem-2275	111	50	c	c	NOUN
eurjchem-2275	111	51	10.30	10.30	NUM
eurjchem-2275	111	52	0.016	0.016	NUM
eurjchem-2275	111	53	3.05	3.05	NUM
eurjchem-2275	111	54	210	210	NUM
eurjchem-2275	111	55	210	210	NUM
eurjchem-2275	111	56	39.9	39.9	NUM
eurjchem-2275	111	57	2.15	2.15	NUM
eurjchem-2275	111	58	d	d	SYM
eurjchem-2275	111	59	11.34	11.34	NUM
eurjchem-2275	111	60	0.010	0.010	NUM
eurjchem-2275	111	61	5.04	5.04	NUM
eurjchem-2275	111	62	210	210	NUM
eurjchem-2275	111	63	210	210	NUM
eurjchem-2275	111	64	39.7	39.7	NUM
eurjchem-2275	111	65	2.10	2.10	NUM
eurjchem-2275	111	66	*	*	PUNCT
eurjchem-2275	111	67	*	*	PUNCT
eurjchem-2275	111	68	weighted	weight	VERB
eurjchem-2275	111	69	average	average	ADJ
eurjchem-2275	111	70	rmsd	rmsd	NOUN
eurjchem-2275	111	71	=	=	PUNCT
eurjchem-2275	111	72	0.090	0.090	NUM
eurjchem-2275	111	73	å	å	PROPN
eurjchem-2275	111	74	table	table	NOUN
eurjchem-2275	111	75	4	4	NUM
eurjchem-2275	111	76	.	.	PUNCT
eurjchem-2275	112	1	fen	fen	PROPN
eurjchem-2275	112	2	conformers	conformer	NOUN
eurjchem-2275	112	3	in	in	ADP
eurjchem-2275	112	4	acetone	acetone	NOUN
eurjchem-2275	112	5	,	,	PUNCT
eurjchem-2275	112	6	δg	δg	NOUN
eurjchem-2275	112	7	°	°	NUM
eurjchem-2275	112	8	and	and	CCONJ
eurjchem-2275	112	9	boltzmann	boltzmann	PROPN
eurjchem-2275	112	10	factor	factor	NOUN
eurjchem-2275	112	11	for	for	ADP
eurjchem-2275	112	12	298	298	NUM
eurjchem-2275	112	13	k	k	NOUN
eurjchem-2275	112	14	with	with	ADP
eurjchem-2275	112	15	dipole	dipole	NOUN
eurjchem-2275	112	16	moments	moment	NOUN
eurjchem-2275	112	17	by	by	ADP
eurjchem-2275	112	18	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	112	19	-	-	X
eurjchem-2275	112	20	31	31	NUM
eurjchem-2275	112	21	g	g	NOUN
eurjchem-2275	112	22	*	*	NOUN
eurjchem-2275	112	23	,	,	PUNCT
eurjchem-2275	112	24	solvent	solvent	ADJ
eurjchem-2275	112	25	-	-	PUNCT
eurjchem-2275	112	26	accessible	accessible	ADJ
eurjchem-2275	112	27	volumes	volume	NOUN
eurjchem-2275	112	28	and	and	CCONJ
eurjchem-2275	112	29	total	total	ADJ
eurjchem-2275	112	30	and	and	CCONJ
eurjchem-2275	112	31	polar	polar	ADJ
eurjchem-2275	112	32	surface	surface	NOUN
eurjchem-2275	112	33	areas	area	NOUN
eurjchem-2275	112	34	,	,	PUNCT
eurjchem-2275	112	35	and	and	CCONJ
eurjchem-2275	112	36	atom	atom	NOUN
eurjchem-2275	112	37	-	-	PUNCT
eurjchem-2275	112	38	positional	positional	ADJ
eurjchem-2275	112	39	rmsds	rmsds	NOUN
eurjchem-2275	112	40	*	*	PUNCT
eurjchem-2275	112	41	*	*	NOUN
eurjchem-2275	112	42	.	.	PUNCT
eurjchem-2275	113	1	conformer	conformer	PROPN
eurjchem-2275	113	2	/	/	SYM
eurjchem-2275	113	3	37	37	NUM
eurjchem-2275	113	4	atoms	atom	NOUN
eurjchem-2275	113	5	δg	δg	VERB
eurjchem-2275	113	6	°	°	NOUN
eurjchem-2275	113	7	(	(	PUNCT
eurjchem-2275	113	8	kj	kj	PROPN
eurjchem-2275	113	9	/	/	SYM
eurjchem-2275	113	10	mol	mol	PROPN
eurjchem-2275	113	11	)	)	PUNCT
eurjchem-2275	113	12	boltzmann	boltzmann	PROPN
eurjchem-2275	113	13	factor	factor	PROPN
eurjchem-2275	113	14	µ	µ	PROPN
eurjchem-2275	113	15	(	(	PUNCT
eurjchem-2275	113	16	d	d	NOUN
eurjchem-2275	113	17	)	)	PUNCT
eurjchem-2275	113	18	volume	volume	NOUN
eurjchem-2275	113	19	(	(	PUNCT
eurjchem-2275	113	20	å3	å3	PROPN
eurjchem-2275	113	21	)	)	PUNCT
eurjchem-2275	113	22	surface	surface	NOUN
eurjchem-2275	113	23	(	(	PUNCT
eurjchem-2275	113	24	å2	å2	PROPN
eurjchem-2275	113	25	)	)	PUNCT
eurjchem-2275	113	26	psa	psa	PROPN
eurjchem-2275	113	27	(	(	PUNCT
eurjchem-2275	113	28	å2	å2	PROPN
eurjchem-2275	113	29	)	)	PUNCT
eurjchem-2275	113	30	rmsd	rmsd	NOUN
eurjchem-2275	113	31	(	(	PUNCT
eurjchem-2275	113	32	å	å	NOUN
eurjchem-2275	113	33	)	)	PUNCT
eurjchem-2275	113	34	a	a	DET
eurjchem-2275	113	35	0.00	0.00	NUM
eurjchem-2275	113	36	1.000	1.000	NUM
eurjchem-2275	113	37	2.88	2.88	NUM
eurjchem-2275	113	38	314	314	NUM
eurjchem-2275	113	39	299	299	NUM
eurjchem-2275	113	40	51.5	51.5	NUM
eurjchem-2275	113	41	0	0	NUM
eurjchem-2275	113	42	b	b	NUM
eurjchem-2275	113	43	1.24	1.24	NUM
eurjchem-2275	113	44	0.605	0.605	NUM
eurjchem-2275	113	45	3.10	3.10	NUM
eurjchem-2275	113	46	317	317	NUM
eurjchem-2275	113	47	299	299	NUM
eurjchem-2275	113	48	51.5	51.5	NUM
eurjchem-2275	113	49	2.07	2.07	NUM
eurjchem-2275	113	50	c	c	NOUN
eurjchem-2275	113	51	2.50	2.50	NUM
eurjchem-2275	113	52	0.364	0.364	NUM
eurjchem-2275	113	53	4.88	4.88	NUM
eurjchem-2275	113	54	315	315	NUM
eurjchem-2275	113	55	303	303	NUM
eurjchem-2275	113	56	54.0	54.0	NUM
eurjchem-2275	113	57	2.24	2.24	NUM
eurjchem-2275	113	58	d	d	NUM
eurjchem-2275	113	59	2.65	2.65	NUM
eurjchem-2275	113	60	0.343	0.343	NUM
eurjchem-2275	113	61	4.97	4.97	NUM
eurjchem-2275	113	62	314	314	NUM
eurjchem-2275	113	63	302	302	NUM
eurjchem-2275	113	64	54.0	54.0	NUM
eurjchem-2275	113	65	2.14	2.14	NUM
eurjchem-2275	113	66	e	e	NOUN
eurjchem-2275	113	67	2.70	2.70	NUM
eurjchem-2275	113	68	0.336	0.336	NUM
eurjchem-2275	113	69	4.98	4.98	NUM
eurjchem-2275	113	70	316	316	NUM
eurjchem-2275	113	71	304	304	NUM
eurjchem-2275	113	72	54.0	54.0	NUM
eurjchem-2275	113	73	2.06	2.06	NUM
eurjchem-2275	113	74	f	f	PROPN
eurjchem-2275	113	75	2.82	2.82	NUM
eurjchem-2275	113	76	0.321	0.321	NUM
eurjchem-2275	113	77	5.07	5.07	NUM
eurjchem-2275	113	78	314	314	NUM
eurjchem-2275	113	79	302	302	NUM
eurjchem-2275	113	80	54.0	54.0	NUM
eurjchem-2275	113	81	1.96	1.96	NUM
eurjchem-2275	113	82	g	g	NOUN
eurjchem-2275	113	83	3.68	3.68	NUM
eurjchem-2275	113	84	0.226	0.226	NUM
eurjchem-2275	113	85	7.00	7.00	NUM
eurjchem-2275	113	86	316	316	NUM
eurjchem-2275	113	87	303	303	NUM
eurjchem-2275	113	88	53.8	53.8	NUM
eurjchem-2275	113	89	1.37	1.37	NUM
eurjchem-2275	113	90	h	h	NOUN
eurjchem-2275	113	91	3.90	3.90	NUM
eurjchem-2275	113	92	0.207	0.207	NUM
eurjchem-2275	113	93	6.32	6.32	NUM
eurjchem-2275	113	94	313	313	NUM
eurjchem-2275	113	95	302	302	NUM
eurjchem-2275	113	96	53.8	53.8	NUM
eurjchem-2275	113	97	2.10	2.10	NUM
eurjchem-2275	113	98	*	*	PUNCT
eurjchem-2275	113	99	*	*	PUNCT
eurjchem-2275	113	100	weighted	weighted	ADJ
eurjchem-2275	113	101	average	average	ADJ
eurjchem-2275	113	102	rmsd	rmsd	NOUN
eurjchem-2275	113	103	=	=	PUNCT
eurjchem-2275	113	104	1.430	1.430	NUM
eurjchem-2275	113	105	å	å	NOUN
eurjchem-2275	113	106	.	.	PUNCT
eurjchem-2275	114	1	(	(	PUNCT
eurjchem-2275	114	2	a	a	X
eurjchem-2275	114	3	)	)	PUNCT
eurjchem-2275	114	4	(	(	PUNCT
eurjchem-2275	114	5	b	b	X
eurjchem-2275	114	6	)	)	PUNCT
eurjchem-2275	114	7	(	(	PUNCT
eurjchem-2275	114	8	c	c	X
eurjchem-2275	114	9	)	)	PUNCT
eurjchem-2275	114	10	(	(	PUNCT
eurjchem-2275	114	11	d	d	X
eurjchem-2275	114	12	)	)	PUNCT
eurjchem-2275	114	13	figure	figure	NOUN
eurjchem-2275	114	14	3	3	NUM
eurjchem-2275	114	15	.	.	NOUN
eurjchem-2275	114	16	four	four	NUM
eurjchem-2275	114	17	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	114	18	-	-	PUNCT
eurjchem-2275	114	19	31	31	NUM
eurjchem-2275	114	20	g	g	NOUN
eurjchem-2275	114	21	*	*	PUNCT
eurjchem-2275	114	22	optimized	optimize	VERB
eurjchem-2275	114	23	clofibric	clofibric	ADJ
eurjchem-2275	114	24	acid	acid	NOUN
eurjchem-2275	114	25	conformers	conformer	NOUN
eurjchem-2275	114	26	.	.	PUNCT
eurjchem-2275	115	1	(	(	PUNCT
eurjchem-2275	115	2	a	a	X
eurjchem-2275	115	3	)	)	PUNCT
eurjchem-2275	115	4	(	(	PUNCT
eurjchem-2275	115	5	b	b	X
eurjchem-2275	115	6	)	)	PUNCT
eurjchem-2275	115	7	(	(	PUNCT
eurjchem-2275	115	8	c	c	X
eurjchem-2275	115	9	)	)	PUNCT
eurjchem-2275	115	10	(	(	PUNCT
eurjchem-2275	115	11	d	d	X
eurjchem-2275	115	12	)	)	PUNCT
eurjchem-2275	115	13	(	(	PUNCT
eurjchem-2275	115	14	e	e	NOUN
eurjchem-2275	115	15	)	)	PUNCT
eurjchem-2275	115	16	(	(	PUNCT
eurjchem-2275	115	17	f	f	X
eurjchem-2275	115	18	)	)	PUNCT
eurjchem-2275	115	19	(	(	PUNCT
eurjchem-2275	115	20	g	g	NOUN
eurjchem-2275	115	21	)	)	PUNCT
eurjchem-2275	115	22	(	(	PUNCT
eurjchem-2275	115	23	h	h	NOUN
eurjchem-2275	115	24	)	)	PUNCT
eurjchem-2275	115	25	figure	figure	NOUN
eurjchem-2275	115	26	4	4	NUM
eurjchem-2275	115	27	.	.	PUNCT
eurjchem-2275	116	1	eight	eight	NUM
eurjchem-2275	116	2	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	116	3	-	-	PUNCT
eurjchem-2275	116	4	31	31	NUM
eurjchem-2275	116	5	g	g	NOUN
eurjchem-2275	116	6	*	*	NOUN
eurjchem-2275	116	7	optimized	optimize	VERB
eurjchem-2275	116	8	fenofibric	fenofibric	NOUN
eurjchem-2275	116	9	acid	acid	NOUN
eurjchem-2275	116	10	conformers	conformer	NOUN
eurjchem-2275	116	11	.	.	PUNCT
eurjchem-2275	117	1	190	190	NUM
eurjchem-2275	117	2	miller	miller	PROPN
eurjchem-2275	117	3	et	et	PROPN
eurjchem-2275	117	4	al	al	PROPN
eurjchem-2275	117	5	.	.	PUNCT
eurjchem-2275	117	6	/	/	SYM
eurjchem-2275	117	7	european	european	PROPN
eurjchem-2275	117	8	journal	journal	PROPN
eurjchem-2275	117	9	of	of	ADP
eurjchem-2275	117	10	chemistry	chemistry	NOUN
eurjchem-2275	117	11	13	13	NUM
eurjchem-2275	117	12	(	(	PUNCT
eurjchem-2275	117	13	2	2	NUM
eurjchem-2275	117	14	)	)	PUNCT
eurjchem-2275	117	15	(	(	PUNCT
eurjchem-2275	117	16	2022	2022	NUM
eurjchem-2275	117	17	)	)	PUNCT
eurjchem-2275	117	18	186	186	NUM
eurjchem-2275	117	19	-	-	SYM
eurjchem-2275	117	20	195	195	NUM
eurjchem-2275	117	21	2022	2022	NUM
eurjchem-2275	117	22	–	–	PUNCT
eurjchem-2275	117	23	european	european	ADJ
eurjchem-2275	117	24	journal	journal	NOUN
eurjchem-2275	117	25	of	of	ADP
eurjchem-2275	117	26	chemistry	chemistry	NOUN
eurjchem-2275	117	27	–	–	PUNCT
eurjchem-2275	117	28	cc	cc	NOUN
eurjchem-2275	117	29	by	by	ADP
eurjchem-2275	117	30	nc	nc	PROPN
eurjchem-2275	117	31	–	–	PUNCT
eurjchem-2275	117	32	doi	doi	NOUN
eurjchem-2275	117	33	:	:	PUNCT
eurjchem-2275	117	34	10.5155	10.5155	NUM
eurjchem-2275	117	35	/	/	SYM
eurjchem-2275	117	36	eurjchem.13.2.186	eurjchem.13.2.186	PROPN
eurjchem-2275	117	37	-	-	SYM
eurjchem-2275	117	38	195.2275	195.2275	NUM
eurjchem-2275	117	39	table	table	NOUN
eurjchem-2275	117	40	5	5	NUM
eurjchem-2275	117	41	.	.	PUNCT
eurjchem-2275	117	42	gem	gem	NOUN
eurjchem-2275	117	43	conformers	conformer	NOUN
eurjchem-2275	117	44	in	in	ADP
eurjchem-2275	117	45	acetone	acetone	NOUN
eurjchem-2275	117	46	,	,	PUNCT
eurjchem-2275	117	47	δg	δg	NOUN
eurjchem-2275	117	48	°	°	NUM
eurjchem-2275	117	49	and	and	CCONJ
eurjchem-2275	117	50	boltzmann	boltzmann	PROPN
eurjchem-2275	117	51	factors	factor	NOUN
eurjchem-2275	117	52	for	for	ADP
eurjchem-2275	117	53	298	298	NUM
eurjchem-2275	117	54	k	k	NOUN
eurjchem-2275	117	55	with	with	ADP
eurjchem-2275	117	56	dipole	dipole	NOUN
eurjchem-2275	117	57	moments	moment	NOUN
eurjchem-2275	117	58	by	by	ADP
eurjchem-2275	117	59	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	117	60	-	-	X
eurjchem-2275	117	61	31	31	NUM
eurjchem-2275	117	62	g	g	NOUN
eurjchem-2275	117	63	*	*	NOUN
eurjchem-2275	117	64	,	,	PUNCT
eurjchem-2275	117	65	solvent	solvent	ADJ
eurjchem-2275	117	66	-	-	PUNCT
eurjchem-2275	117	67	accessible	accessible	ADJ
eurjchem-2275	117	68	volumes	volume	NOUN
eurjchem-2275	117	69	and	and	CCONJ
eurjchem-2275	117	70	total	total	ADJ
eurjchem-2275	117	71	and	and	CCONJ
eurjchem-2275	117	72	polar	polar	ADJ
eurjchem-2275	117	73	surface	surface	NOUN
eurjchem-2275	117	74	areas	area	NOUN
eurjchem-2275	117	75	,	,	PUNCT
eurjchem-2275	117	76	and	and	CCONJ
eurjchem-2275	117	77	atom	atom	NOUN
eurjchem-2275	117	78	-	-	PUNCT
eurjchem-2275	117	79	positional	positional	ADJ
eurjchem-2275	117	80	rmsds	rmsds	NOUN
eurjchem-2275	117	81	*	*	PUNCT
eurjchem-2275	117	82	*	*	NOUN
eurjchem-2275	117	83	.	.	PUNCT
eurjchem-2275	118	1	conformer	conformer	PROPN
eurjchem-2275	118	2	/	/	SYM
eurjchem-2275	118	3	40	40	NUM
eurjchem-2275	118	4	atoms	atom	NOUN
eurjchem-2275	118	5	δg	δg	VERB
eurjchem-2275	118	6	°	°	NOUN
eurjchem-2275	118	7	(	(	PUNCT
eurjchem-2275	118	8	kj	kj	PROPN
eurjchem-2275	118	9	/	/	SYM
eurjchem-2275	118	10	mol	mol	PROPN
eurjchem-2275	118	11	)	)	PUNCT
eurjchem-2275	118	12	boltzmann	boltzmann	PROPN
eurjchem-2275	118	13	factor	factor	PROPN
eurjchem-2275	118	14	µ	µ	PROPN
eurjchem-2275	118	15	(	(	PUNCT
eurjchem-2275	118	16	d	d	NOUN
eurjchem-2275	118	17	)	)	PUNCT
eurjchem-2275	118	18	volume	volume	NOUN
eurjchem-2275	118	19	(	(	PUNCT
eurjchem-2275	118	20	å3	å3	PROPN
eurjchem-2275	118	21	)	)	PUNCT
eurjchem-2275	118	22	surface	surface	NOUN
eurjchem-2275	118	23	(	(	PUNCT
eurjchem-2275	118	24	å2	å2	PROPN
eurjchem-2275	118	25	)	)	PUNCT
eurjchem-2275	118	26	psa	psa	PROPN
eurjchem-2275	118	27	(	(	PUNCT
eurjchem-2275	118	28	å2	å2	PROPN
eurjchem-2275	118	29	)	)	PUNCT
eurjchem-2275	118	30	rmsd	rmsd	NOUN
eurjchem-2275	118	31	(	(	PUNCT
eurjchem-2275	118	32	å	å	NOUN
eurjchem-2275	118	33	)	)	PUNCT
eurjchem-2275	118	34	a	a	DET
eurjchem-2275	118	35	0.00	0.00	NUM
eurjchem-2275	118	36	1.000	1.000	NUM
eurjchem-2275	118	37	3.31	3.31	NUM
eurjchem-2275	118	38	297	297	NUM
eurjchem-2275	118	39	287	287	NUM
eurjchem-2275	118	40	39.3	39.3	NUM
eurjchem-2275	118	41	0	0	NUM
eurjchem-2275	118	42	b	b	X
eurjchem-2275	118	43	5.80	5.80	NUM
eurjchem-2275	118	44	0.096	0.096	NUM
eurjchem-2275	118	45	3.12	3.12	NUM
eurjchem-2275	118	46	291	291	NUM
eurjchem-2275	118	47	286	286	NUM
eurjchem-2275	118	48	39.4	39.4	NUM
eurjchem-2275	118	49	2.42	2.42	NUM
eurjchem-2275	118	50	c	c	NOUN
eurjchem-2275	118	51	6.56	6.56	NUM
eurjchem-2275	118	52	0.071	0.071	NUM
eurjchem-2275	118	53	3.09	3.09	NUM
eurjchem-2275	118	54	293	293	NUM
eurjchem-2275	118	55	284	284	NUM
eurjchem-2275	118	56	39.4	39.4	NUM
eurjchem-2275	118	57	1.72	1.72	NUM
eurjchem-2275	118	58	d	d	NOUN
eurjchem-2275	118	59	8.29	8.29	NUM
eurjchem-2275	118	60	0.035	0.035	NUM
eurjchem-2275	118	61	3.60	3.60	NUM
eurjchem-2275	118	62	299	299	NUM
eurjchem-2275	118	63	282	282	NUM
eurjchem-2275	118	64	39.3	39.3	NUM
eurjchem-2275	118	65	2.10	2.10	NUM
eurjchem-2275	118	66	e	e	NOUN
eurjchem-2275	118	67	9.61	9.61	NUM
eurjchem-2275	118	68	0.021	0.021	NUM
eurjchem-2275	118	69	3.31	3.31	NUM
eurjchem-2275	118	70	302	302	NUM
eurjchem-2275	118	71	281	281	NUM
eurjchem-2275	118	72	39.2	39.2	NUM
eurjchem-2275	118	73	2.01	2.01	NUM
eurjchem-2275	118	74	f	f	PROPN
eurjchem-2275	118	75	10.19	10.19	NUM
eurjchem-2275	118	76	0.016	0.016	NUM
eurjchem-2275	118	77	1.52	1.52	NUM
eurjchem-2275	118	78	291	291	NUM
eurjchem-2275	118	79	285	285	NUM
eurjchem-2275	118	80	39.3	39.3	NUM
eurjchem-2275	118	81	1.89	1.89	NUM
eurjchem-2275	118	82	g	g	ADP
eurjchem-2275	118	83	10.31	10.31	NUM
eurjchem-2275	118	84	0.016	0.016	NUM
eurjchem-2275	118	85	2.50	2.50	NUM
eurjchem-2275	118	86	291	291	NUM
eurjchem-2275	118	87	285	285	NUM
eurjchem-2275	118	88	39.3	39.3	NUM
eurjchem-2275	118	89	1.90	1.90	NUM
eurjchem-2275	118	90	*	*	PUNCT
eurjchem-2275	118	91	*	*	PUNCT
eurjchem-2275	118	92	weighted	weight	VERB
eurjchem-2275	118	93	average	average	ADJ
eurjchem-2275	118	94	rmsd	rmsd	NOUN
eurjchem-2275	118	95	=	=	PUNCT
eurjchem-2275	118	96	0.423	0.423	NUM
eurjchem-2275	118	97	å	å	NOUN
eurjchem-2275	118	98	.	.	PUNCT
eurjchem-2275	118	99	table	table	NOUN
eurjchem-2275	118	100	6	6	NUM
eurjchem-2275	118	101	.	.	PUNCT
eurjchem-2275	119	1	van	van	PROPN
eurjchem-2275	119	2	der	der	NOUN
eurjchem-2275	119	3	waals	waal	NOUN
eurjchem-2275	119	4	volumes	volume	NOUN
eurjchem-2275	119	5	and	and	CCONJ
eurjchem-2275	119	6	surface	surface	NOUN
eurjchem-2275	119	7	areas	area	NOUN
eurjchem-2275	119	8	for	for	ADP
eurjchem-2275	119	9	fibric	fibric	ADJ
eurjchem-2275	119	10	acids	acid	NOUN
eurjchem-2275	119	11	.	.	PUNCT
eurjchem-2275	120	1	acid	acid	NOUN
eurjchem-2275	120	2	volume	volume	NOUN
eurjchem-2275	120	3	(	(	PUNCT
eurjchem-2275	120	4	å3	å3	PROPN
eurjchem-2275	120	5	)	)	PUNCT
eurjchem-2275	120	6	surface	surface	NOUN
eurjchem-2275	120	7	(	(	PUNCT
eurjchem-2275	120	8	å2	å2	PROPN
eurjchem-2275	120	9	)	)	PUNCT
eurjchem-2275	120	10	beza	beza	PROPN
eurjchem-2275	120	11	332	332	NUM
eurjchem-2275	120	12	385	385	NUM
eurjchem-2275	120	13	clo	clo	PROPN
eurjchem-2275	120	14	191	191	NUM
eurjchem-2275	120	15	228	228	NUM
eurjchem-2275	120	16	fen	fen	PROPN
eurjchem-2275	120	17	285	285	NUM
eurjchem-2275	120	18	326	326	NUM
eurjchem-2275	120	19	gem	gem	NOUN
eurjchem-2275	120	20	261	261	NUM
eurjchem-2275	120	21	309	309	NUM
eurjchem-2275	120	22	(	(	PUNCT
eurjchem-2275	120	23	a	a	NOUN
eurjchem-2275	120	24	)	)	PUNCT
eurjchem-2275	120	25	(	(	PUNCT
eurjchem-2275	120	26	b	b	X
eurjchem-2275	120	27	)	)	PUNCT
eurjchem-2275	120	28	(	(	PUNCT
eurjchem-2275	120	29	c	c	X
eurjchem-2275	120	30	)	)	PUNCT
eurjchem-2275	120	31	(	(	PUNCT
eurjchem-2275	120	32	d	d	X
eurjchem-2275	120	33	)	)	PUNCT
eurjchem-2275	120	34	(	(	PUNCT
eurjchem-2275	120	35	e	e	NOUN
eurjchem-2275	120	36	)	)	PUNCT
eurjchem-2275	120	37	(	(	PUNCT
eurjchem-2275	120	38	f	f	X
eurjchem-2275	120	39	)	)	PUNCT
eurjchem-2275	120	40	(	(	PUNCT
eurjchem-2275	120	41	g	g	NOUN
eurjchem-2275	120	42	)	)	PUNCT
eurjchem-2275	120	43	figure	figure	NOUN
eurjchem-2275	120	44	5	5	NUM
eurjchem-2275	120	45	.	.	PUNCT
eurjchem-2275	120	46	seven	seven	NUM
eurjchem-2275	120	47	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	120	48	-	-	PUNCT
eurjchem-2275	120	49	31	31	NUM
eurjchem-2275	120	50	g	g	NOUN
eurjchem-2275	120	51	*	*	VERB
eurjchem-2275	120	52	optimized	optimize	VERB
eurjchem-2275	120	53	gemfibrozil	gemfibrozil	NOUN
eurjchem-2275	120	54	conformers	conformer	NOUN
eurjchem-2275	120	55	.	.	PUNCT
eurjchem-2275	121	1	polar	polar	ADJ
eurjchem-2275	121	2	surface	surface	NOUN
eurjchem-2275	121	3	areas	area	NOUN
eurjchem-2275	121	4	(	(	PUNCT
eurjchem-2275	121	5	psa	psa	NOUN
eurjchem-2275	121	6	)	)	PUNCT
eurjchem-2275	121	7	are	be	AUX
eurjchem-2275	121	8	shown	show	VERB
eurjchem-2275	121	9	for	for	ADP
eurjchem-2275	121	10	all	all	DET
eurjchem-2275	121	11	significant	significant	ADJ
eurjchem-2275	121	12	conformers	conformer	NOUN
eurjchem-2275	121	13	of	of	ADP
eurjchem-2275	121	14	each	each	DET
eurjchem-2275	121	15	fibric	fibric	ADV
eurjchem-2275	121	16	acid	acid	NOUN
eurjchem-2275	121	17	in	in	ADP
eurjchem-2275	121	18	tables	table	NOUN
eurjchem-2275	121	19	2	2	NUM
eurjchem-2275	121	20	-	-	SYM
eurjchem-2275	121	21	5	5	NUM
eurjchem-2275	121	22	.	.	PUNCT
eurjchem-2275	122	1	psas	psas	PROPN
eurjchem-2275	122	2	are	be	AUX
eurjchem-2275	122	3	used	use	VERB
eurjchem-2275	122	4	to	to	PART
eurjchem-2275	122	5	estimate	estimate	VERB
eurjchem-2275	122	6	molecular	molecular	ADJ
eurjchem-2275	122	7	transport	transport	NOUN
eurjchem-2275	122	8	through	through	ADP
eurjchem-2275	122	9	membranes	membrane	NOUN
eurjchem-2275	122	10	and	and	CCONJ
eurjchem-2275	122	11	consider	consider	VERB
eurjchem-2275	122	12	the	the	DET
eurjchem-2275	122	13	surface	surface	NOUN
eurjchem-2275	122	14	area	area	NOUN
eurjchem-2275	122	15	of	of	ADP
eurjchem-2275	122	16	the	the	DET
eurjchem-2275	122	17	electronegative	electronegative	ADJ
eurjchem-2275	122	18	n	n	NOUN
eurjchem-2275	122	19	and	and	CCONJ
eurjchem-2275	122	20	o	o	NOUN
eurjchem-2275	122	21	atoms	atom	NOUN
eurjchem-2275	122	22	with	with	ADP
eurjchem-2275	122	23	any	any	DET
eurjchem-2275	122	24	attached	attached	ADJ
eurjchem-2275	122	25	h	h	NOUN
eurjchem-2275	122	26	atoms	atom	NOUN
eurjchem-2275	122	27	.	.	PUNCT
eurjchem-2275	123	1	such	such	ADJ
eurjchem-2275	123	2	sites	site	NOUN
eurjchem-2275	123	3	are	be	AUX
eurjchem-2275	123	4	likely	likely	ADJ
eurjchem-2275	123	5	to	to	PART
eurjchem-2275	123	6	involve	involve	VERB
eurjchem-2275	123	7	hydrogen	hydrogen	NOUN
eurjchem-2275	123	8	bonding	bonding	NOUN
eurjchem-2275	123	9	.	.	PUNCT
eurjchem-2275	124	1	lower	low	ADJ
eurjchem-2275	124	2	psa	psa	NOUN
eurjchem-2275	124	3	is	be	AUX
eurjchem-2275	124	4	associated	associate	VERB
eurjchem-2275	124	5	with	with	ADP
eurjchem-2275	124	6	more	more	ADV
eurjchem-2275	124	7	facile	facile	ADJ
eurjchem-2275	124	8	permeation	permeation	NOUN
eurjchem-2275	124	9	of	of	ADP
eurjchem-2275	124	10	barriers	barrier	NOUN
eurjchem-2275	124	11	[	[	X
eurjchem-2275	124	12	22,23	22,23	NOUN
eurjchem-2275	124	13	]	]	PUNCT
eurjchem-2275	124	14	.	.	PUNCT
eurjchem-2275	125	1	in	in	ADP
eurjchem-2275	125	2	the	the	DET
eurjchem-2275	125	3	present	present	ADJ
eurjchem-2275	125	4	calculations	calculation	NOUN
eurjchem-2275	125	5	,	,	PUNCT
eurjchem-2275	125	6	conformers	conformer	NOUN
eurjchem-2275	125	7	with	with	ADP
eurjchem-2275	125	8	an	an	DET
eurjchem-2275	125	9	intramolecular	intramolecular	ADJ
eurjchem-2275	125	10	hydrogen	hydrogen	NOUN
eurjchem-2275	125	11	bond	bond	NOUN
eurjchem-2275	125	12	show	show	VERB
eurjchem-2275	125	13	small	small	ADJ
eurjchem-2275	125	14	but	but	CCONJ
eurjchem-2275	125	15	significant	significant	ADJ
eurjchem-2275	125	16	decreases	decrease	NOUN
eurjchem-2275	125	17	in	in	ADP
eurjchem-2275	125	18	psa	psa	NOUN
eurjchem-2275	125	19	,	,	PUNCT
eurjchem-2275	125	20	2	2	NUM
eurjchem-2275	125	21	to	to	PART
eurjchem-2275	125	22	3	3	NUM
eurjchem-2275	125	23	å2	å2	NOUN
eurjchem-2275	125	24	,	,	PUNCT
eurjchem-2275	125	25	compared	compare	VERB
eurjchem-2275	125	26	to	to	ADP
eurjchem-2275	125	27	the	the	DET
eurjchem-2275	125	28	others	other	NOUN
eurjchem-2275	125	29	.	.	PUNCT
eurjchem-2275	126	1	the	the	DET
eurjchem-2275	126	2	ranking	ranking	NOUN
eurjchem-2275	126	3	among	among	ADP
eurjchem-2275	126	4	the	the	DET
eurjchem-2275	126	5	fibric	fibric	ADJ
eurjchem-2275	126	6	acids	acid	NOUN
eurjchem-2275	126	7	is	be	AUX
eurjchem-2275	126	8	beza	beza	PROPN
eurjchem-2275	126	9	>	>	X
eurjchem-2275	126	10	fen	fen	PROPN
eurjchem-2275	126	11	>	>	X
eurjchem-2275	126	12	gem	gem	NOUN
eurjchem-2275	127	1	≈	≈	PROPN
eurjchem-2275	127	2	clo	clo	PROPN
eurjchem-2275	127	3	,	,	PUNCT
eurjchem-2275	127	4	reflecting	reflect	VERB
eurjchem-2275	127	5	the	the	DET
eurjchem-2275	127	6	counts	count	NOUN
eurjchem-2275	127	7	of	of	ADP
eurjchem-2275	127	8	n	n	NOUN
eurjchem-2275	127	9	and	and	CCONJ
eurjchem-2275	127	10	o	o	NOUN
eurjchem-2275	127	11	atoms	atom	NOUN
eurjchem-2275	127	12	per	per	ADP
eurjchem-2275	127	13	molecule	molecule	NOUN
eurjchem-2275	127	14	,	,	PUNCT
eurjchem-2275	127	15	respectively	respectively	ADV
eurjchem-2275	127	16	,	,	PUNCT
eurjchem-2275	127	17	5	5	NUM
eurjchem-2275	127	18	,	,	PUNCT
eurjchem-2275	127	19	4	4	NUM
eurjchem-2275	127	20	,	,	PUNCT
eurjchem-2275	127	21	3	3	NUM
eurjchem-2275	127	22	,	,	PUNCT
eurjchem-2275	127	23	and	and	CCONJ
eurjchem-2275	127	24	3	3	X
eurjchem-2275	127	25	.	.	NOUN
eurjchem-2275	127	26	similarities	similarity	NOUN
eurjchem-2275	127	27	between	between	ADP
eurjchem-2275	127	28	two	two	NUM
eurjchem-2275	127	29	conformations	conformation	NOUN
eurjchem-2275	127	30	or	or	CCONJ
eurjchem-2275	127	31	fragments	fragment	NOUN
eurjchem-2275	127	32	are	be	AUX
eurjchem-2275	127	33	reported	report	VERB
eurjchem-2275	127	34	as	as	ADP
eurjchem-2275	127	35	atom	atom	NOUN
eurjchem-2275	127	36	-	-	PUNCT
eurjchem-2275	127	37	positional	positional	ADJ
eurjchem-2275	127	38	rmsds	rmsds	NOUN
eurjchem-2275	127	39	by	by	ADP
eurjchem-2275	127	40	determining	determine	VERB
eurjchem-2275	127	41	the	the	DET
eurjchem-2275	127	42	difference	difference	NOUN
eurjchem-2275	127	43	(	(	PUNCT
eurjchem-2275	127	44	deviation	deviation	NOUN
eurjchem-2275	127	45	)	)	PUNCT
eurjchem-2275	127	46	in	in	ADP
eurjchem-2275	127	47	the	the	DET
eurjchem-2275	127	48	coordinates	coordinate	NOUN
eurjchem-2275	127	49	of	of	ADP
eurjchem-2275	127	50	atoms	atom	NOUN
eurjchem-2275	127	51	that	that	PRON
eurjchem-2275	127	52	are	be	AUX
eurjchem-2275	127	53	of	of	ADP
eurjchem-2275	127	54	the	the	DET
eurjchem-2275	127	55	identical	identical	ADJ
eurjchem-2275	127	56	type	type	NOUN
eurjchem-2275	127	57	and	and	CCONJ
eurjchem-2275	127	58	the	the	DET
eurjchem-2275	127	59	same	same	ADJ
eurjchem-2275	127	60	connectivity	connectivity	NOUN
eurjchem-2275	127	61	.	.	PUNCT
eurjchem-2275	128	1	comparison	comparison	NOUN
eurjchem-2275	128	2	(	(	PUNCT
eurjchem-2275	128	3	figure	figure	NOUN
eurjchem-2275	128	4	6	6	NUM
eurjchem-2275	128	5	)	)	PUNCT
eurjchem-2275	128	6	of	of	ADP
eurjchem-2275	128	7	the	the	DET
eurjchem-2275	128	8	13	13	NUM
eurjchem-2275	128	9	-	-	PUNCT
eurjchem-2275	128	10	atom	atom	NOUN
eurjchem-2275	128	11	fragment	fragment	NOUN
eurjchem-2275	128	12	2	2	NUM
eurjchem-2275	128	13	-	-	PUNCT
eurjchem-2275	128	14	methylpropanoic	methylpropanoic	ADJ
eurjchem-2275	128	15	acid	acid	NOUN
eurjchem-2275	128	16	,	,	PUNCT
eurjchem-2275	128	17	me2ccooh	me2ccooh	NOUN
eurjchem-2275	128	18	,	,	PUNCT
eurjchem-2275	128	19	common	common	ADJ
eurjchem-2275	128	20	to	to	ADP
eurjchem-2275	128	21	all	all	DET
eurjchem-2275	128	22	four	four	NUM
eurjchem-2275	128	23	fibric	fibric	ADJ
eurjchem-2275	128	24	acids	acid	NOUN
eurjchem-2275	128	25	,	,	PUNCT
eurjchem-2275	128	26	also	also	ADV
eurjchem-2275	128	27	reveals	reveal	VERB
eurjchem-2275	128	28	very	very	ADV
eurjchem-2275	128	29	similar	similar	ADJ
eurjchem-2275	128	30	fragment	fragment	ADJ
eurjchem-2275	128	31	conformations	conformation	NOUN
eurjchem-2275	128	32	among	among	ADP
eurjchem-2275	128	33	these	these	DET
eurjchem-2275	128	34	molecules	molecule	NOUN
eurjchem-2275	128	35	versus	versus	ADP
eurjchem-2275	128	36	that	that	PRON
eurjchem-2275	128	37	of	of	ADP
eurjchem-2275	128	38	clo	clo	PROPN
eurjchem-2275	128	39	,	,	PUNCT
eurjchem-2275	128	40	except	except	SCONJ
eurjchem-2275	128	41	for	for	ADP
eurjchem-2275	128	42	gem	gem	NOUN
eurjchem-2275	128	43	,	,	PUNCT
eurjchem-2275	128	44	with	with	ADP
eurjchem-2275	128	45	rmsd	rmsd	NOUN
eurjchem-2275	128	46	values	value	NOUN
eurjchem-2275	128	47	0.009	0.009	NUM
eurjchem-2275	128	48	,	,	PUNCT
eurjchem-2275	128	49	0.036	0.036	NUM
eurjchem-2275	128	50	,	,	PUNCT
eurjchem-2275	128	51	and	and	CCONJ
eurjchem-2275	128	52	0.641	0.641	NUM
eurjchem-2275	128	53	å	å	PROPN
eurjchem-2275	128	54	for	for	ADP
eurjchem-2275	128	55	fen	fen	PROPN
eurjchem-2275	128	56	,	,	PUNCT
eurjchem-2275	128	57	beza	beza	PROPN
eurjchem-2275	128	58	,	,	PUNCT
eurjchem-2275	128	59	and	and	CCONJ
eurjchem-2275	128	60	gem	gem	NOUN
eurjchem-2275	128	61	,	,	PUNCT
eurjchem-2275	128	62	respectively	respectively	ADV
eurjchem-2275	128	63	(	(	PUNCT
eurjchem-2275	128	64	figure	figure	NOUN
eurjchem-2275	128	65	6a	6a	NOUN
eurjchem-2275	128	66	)	)	PUNCT
eurjchem-2275	128	67	.	.	PUNCT
eurjchem-2275	129	1	the	the	DET
eurjchem-2275	129	2	larger	large	ADJ
eurjchem-2275	129	3	rmsd	rmsd	NOUN
eurjchem-2275	129	4	for	for	ADP
eurjchem-2275	129	5	gem	gem	NOUN
eurjchem-2275	129	6	reflects	reflect	VERB
eurjchem-2275	129	7	the	the	DET
eurjchem-2275	129	8	syn	syn	PROPN
eurjchem-2275	129	9	conformation	conformation	NOUN
eurjchem-2275	129	10	of	of	ADP
eurjchem-2275	129	11	its	its	PRON
eurjchem-2275	129	12	carboxyl	carboxyl	NOUN
eurjchem-2275	129	13	group	group	NOUN
eurjchem-2275	129	14	,	,	PUNCT
eurjchem-2275	129	15	while	while	SCONJ
eurjchem-2275	129	16	in	in	ADP
eurjchem-2275	129	17	the	the	DET
eurjchem-2275	129	18	other	other	ADJ
eurjchem-2275	129	19	three	three	NUM
eurjchem-2275	129	20	acids	acid	NOUN
eurjchem-2275	129	21	,	,	PUNCT
eurjchem-2275	129	22	the	the	DET
eurjchem-2275	129	23	carboxyl	carboxyl	NOUN
eurjchem-2275	129	24	is	be	AUX
eurjchem-2275	129	25	anti	anti	ADJ
eurjchem-2275	129	26	to	to	PART
eurjchem-2275	129	27	accommodate	accommodate	VERB
eurjchem-2275	129	28	the	the	DET
eurjchem-2275	129	29	intramolecular	intramolecular	ADJ
eurjchem-2275	129	30	hydrogen	hydrogen	NOUN
eurjchem-2275	129	31	bond	bond	NOUN
eurjchem-2275	129	32	to	to	ADP
eurjchem-2275	129	33	the	the	DET
eurjchem-2275	129	34	ether	ether	NOUN
eurjchem-2275	129	35	function	function	NOUN
eurjchem-2275	129	36	.	.	PUNCT
eurjchem-2275	130	1	the	the	DET
eurjchem-2275	130	2	absence	absence	NOUN
eurjchem-2275	130	3	of	of	ADP
eurjchem-2275	130	4	this	this	DET
eurjchem-2275	130	5	bond	bond	NOUN
eurjchem-2275	130	6	and	and	CCONJ
eurjchem-2275	130	7	a	a	DET
eurjchem-2275	130	8	close	close	ADJ
eurjchem-2275	130	9	phenoxy	phenoxy	ADJ
eurjchem-2275	130	10	group	group	NOUN
eurjchem-2275	130	11	in	in	ADP
eurjchem-2275	130	12	gem	gem	NOUN
eurjchem-2275	130	13	due	due	ADP
eurjchem-2275	130	14	to	to	ADP
eurjchem-2275	130	15	a	a	DET
eurjchem-2275	130	16	fragment	fragment	NOUN
eurjchem-2275	130	17	with	with	ADP
eurjchem-2275	130	18	a	a	DET
eurjchem-2275	130	19	different	different	ADJ
eurjchem-2275	130	20	connectivity	connectivity	NOUN
eurjchem-2275	130	21	results	result	NOUN
eurjchem-2275	130	22	in	in	ADP
eurjchem-2275	130	23	its	its	PRON
eurjchem-2275	130	24	variant	variant	ADJ
eurjchem-2275	130	25	conformation	conformation	NOUN
eurjchem-2275	130	26	.	.	PUNCT
eurjchem-2275	131	1	the	the	DET
eurjchem-2275	131	2	24	24	NUM
eurjchem-2275	131	3	-	-	PUNCT
eurjchem-2275	131	4	atom	atom	NOUN
eurjchem-2275	131	5	fragment	fragment	NOUN
eurjchem-2275	131	6	,	,	PUNCT
eurjchem-2275	131	7	phenoxy-2	phenoxy-2	NOUN
eurjchem-2275	131	8	-	-	PUNCT
eurjchem-2275	131	9	methylpropanoic	methylpropanoic	ADJ
eurjchem-2275	131	10	acid	acid	NOUN
eurjchem-2275	131	11	,	,	PUNCT
eurjchem-2275	131	12	phocme2cooh	phocme2cooh	PROPN
eurjchem-2275	131	13	,	,	PUNCT
eurjchem-2275	131	14	contained	contain	VERB
eurjchem-2275	131	15	in	in	ADP
eurjchem-2275	131	16	the	the	DET
eurjchem-2275	131	17	lowest	low	ADJ
eurjchem-2275	131	18	-	-	PUNCT
eurjchem-2275	131	19	g	g	NOUN
eurjchem-2275	131	20	°	°	ADJ
eurjchem-2275	131	21	conformers	conformer	NOUN
eurjchem-2275	131	22	of	of	ADP
eurjchem-2275	131	23	beza	beza	PROPN
eurjchem-2275	131	24	versus	versus	ADP
eurjchem-2275	131	25	clo	clo	PROPN
eurjchem-2275	131	26	and	and	CCONJ
eurjchem-2275	131	27	fen	fen	PROPN
eurjchem-2275	131	28	versus	versus	ADP
eurjchem-2275	131	29	clo	clo	PROPN
eurjchem-2275	131	30	have	have	VERB
eurjchem-2275	131	31	rmsd	rmsd	NOUN
eurjchem-2275	131	32	of	of	ADP
eurjchem-2275	131	33	0.117	0.117	NUM
eurjchem-2275	131	34	and	and	CCONJ
eurjchem-2275	131	35	0.015	0.015	NUM
eurjchem-2275	131	36	å	å	PROPN
eurjchem-2275	131	37	,	,	PUNCT
eurjchem-2275	131	38	respectively	respectively	ADV
eurjchem-2275	131	39	(	(	PUNCT
eurjchem-2275	131	40	figure	figure	NOUN
eurjchem-2275	131	41	6b	6b	NUM
eurjchem-2275	131	42	)	)	PUNCT
eurjchem-2275	131	43	.	.	PUNCT
eurjchem-2275	132	1	these	these	DET
eurjchem-2275	132	2	low	low	ADJ
eurjchem-2275	132	3	values	value	NOUN
eurjchem-2275	132	4	suggest	suggest	VERB
eurjchem-2275	132	5	that	that	SCONJ
eurjchem-2275	132	6	this	this	DET
eurjchem-2275	132	7	fragment	fragment	NOUN
eurjchem-2275	132	8	in	in	ADP
eurjchem-2275	132	9	clo	clo	PROPN
eurjchem-2275	132	10	,	,	PUNCT
eurjchem-2275	132	11	fen	fen	PROPN
eurjchem-2275	132	12	,	,	PUNCT
eurjchem-2275	132	13	and	and	CCONJ
eurjchem-2275	132	14	beza	beza	PROPN
eurjchem-2275	132	15	has	have	VERB
eurjchem-2275	132	16	very	very	ADV
eurjchem-2275	132	17	similar	similar	ADJ
eurjchem-2275	132	18	lowest	low	ADJ
eurjchem-2275	132	19	energy	energy	NOUN
eurjchem-2275	132	20	conformations	conformation	NOUN
eurjchem-2275	132	21	in	in	ADP
eurjchem-2275	132	22	each	each	DET
eurjchem-2275	132	23	compound	compound	NOUN
eurjchem-2275	132	24	,	,	PUNCT
eurjchem-2275	132	25	but	but	CCONJ
eurjchem-2275	132	26	this	this	DET
eurjchem-2275	132	27	fragment	fragment	NOUN
eurjchem-2275	132	28	is	be	AUX
eurjchem-2275	132	29	absent	absent	ADJ
eurjchem-2275	132	30	in	in	ADP
eurjchem-2275	132	31	gem	gem	NOUN
eurjchem-2275	132	32	.	.	PUNCT
eurjchem-2275	133	1	miller	miller	PROPN
eurjchem-2275	133	2	et	et	PROPN
eurjchem-2275	133	3	al	al	PROPN
eurjchem-2275	133	4	.	.	PUNCT
eurjchem-2275	133	5	/	/	SYM
eurjchem-2275	133	6	european	european	PROPN
eurjchem-2275	133	7	journal	journal	PROPN
eurjchem-2275	133	8	of	of	ADP
eurjchem-2275	133	9	chemistry	chemistry	NOUN
eurjchem-2275	133	10	13	13	NUM
eurjchem-2275	133	11	(	(	PUNCT
eurjchem-2275	133	12	2	2	NUM
eurjchem-2275	133	13	)	)	PUNCT
eurjchem-2275	133	14	(	(	PUNCT
eurjchem-2275	133	15	2022	2022	NUM
eurjchem-2275	133	16	)	)	PUNCT
eurjchem-2275	133	17	186	186	NUM
eurjchem-2275	133	18	-	-	SYM
eurjchem-2275	133	19	195	195	NUM
eurjchem-2275	133	20	191	191	NUM
eurjchem-2275	133	21	2022	2022	NUM
eurjchem-2275	133	22	–	–	PUNCT
eurjchem-2275	133	23	european	european	ADJ
eurjchem-2275	133	24	journal	journal	NOUN
eurjchem-2275	133	25	of	of	ADP
eurjchem-2275	133	26	chemistry	chemistry	NOUN
eurjchem-2275	133	27	–	–	PUNCT
eurjchem-2275	133	28	cc	cc	NOUN
eurjchem-2275	133	29	by	by	ADP
eurjchem-2275	133	30	nc	nc	PROPN
eurjchem-2275	133	31	–	–	PUNCT
eurjchem-2275	133	32	doi	doi	NOUN
eurjchem-2275	133	33	:	:	PUNCT
eurjchem-2275	133	34	10.5155	10.5155	NUM
eurjchem-2275	133	35	/	/	SYM
eurjchem-2275	133	36	eurjchem.13.2.186	eurjchem.13.2.186	PROPN
eurjchem-2275	133	37	-	-	SYM
eurjchem-2275	133	38	195.2275	195.2275	NUM
eurjchem-2275	133	39	table	table	NOUN
eurjchem-2275	133	40	7	7	NUM
eurjchem-2275	133	41	.	.	PUNCT
eurjchem-2275	134	1	theoretical	theoretical	ADJ
eurjchem-2275	134	2	(	(	PUNCT
eurjchem-2275	134	3	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	134	4	-	-	NOUN
eurjchem-2275	134	5	311+g	311+g	ADJ
eurjchem-2275	134	6	*	*	NOUN
eurjchem-2275	134	7	*	*	PUNCT
eurjchem-2275	134	8	)	)	PUNCT
eurjchem-2275	134	9	and	and	CCONJ
eurjchem-2275	134	10	experimental	experimental	ADJ
eurjchem-2275	134	11	1h	1h	NUM
eurjchem-2275	134	12	and	and	CCONJ
eurjchem-2275	134	13	13c	13c	NOUN
eurjchem-2275	134	14	nmr	nmr	NOUN
eurjchem-2275	134	15	chemical	chemical	NOUN
eurjchem-2275	134	16	shifts	shift	NOUN
eurjchem-2275	134	17	for	for	ADP
eurjchem-2275	134	18	bezafibrate	bezafibrate	NOUN
eurjchem-2275	134	19	in	in	ADP
eurjchem-2275	134	20	acetone	acetone	NOUN
eurjchem-2275	134	21	.	.	PUNCT
eurjchem-2275	135	1	hydrogen(s	hydrogen(s	NOUN
eurjchem-2275	135	2	)	)	PUNCT
eurjchem-2275	135	3	(	(	PUNCT
eurjchem-2275	135	4	atom	atom	NOUN
eurjchem-2275	135	5	number	number	NOUN
eurjchem-2275	135	6	)	)	PUNCT
eurjchem-2275	135	7	δtheor	δtheor	NOUN
eurjchem-2275	135	8	.	.	PUNCT
eurjchem-2275	136	1	(	(	PUNCT
eurjchem-2275	136	2	ppm	ppm	NOUN
eurjchem-2275	136	3	)	)	PUNCT
eurjchem-2275	136	4	δexp	δexp	NOUN
eurjchem-2275	136	5	.	.	PUNCT
eurjchem-2275	137	1	(	(	PUNCT
eurjchem-2275	137	2	ppm	ppm	NOUN
eurjchem-2275	137	3	)	)	PUNCT
eurjchem-2275	137	4	methyl	methyl	NOUN
eurjchem-2275	137	5	(	(	PUNCT
eurjchem-2275	137	6	37	37	NUM
eurjchem-2275	137	7	-	-	SYM
eurjchem-2275	137	8	39	39	NUM
eurjchem-2275	137	9	,	,	PUNCT
eurjchem-2275	137	10	41	41	NUM
eurjchem-2275	137	11	-	-	SYM
eurjchem-2275	137	12	43	43	NUM
eurjchem-2275	137	13	)	)	PUNCT
eurjchem-2275	137	14	1.48	1.48	NUM
eurjchem-2275	137	15	1.55	1.55	NUM
eurjchem-2275	137	16	ch2	ch2	NOUN
eurjchem-2275	137	17	,	,	PUNCT
eurjchem-2275	137	18	adj	adj	PROPN
eurjchem-2275	137	19	.	.	PROPN
eurjchem-2275	138	1	to	to	ADP
eurjchem-2275	138	2	phenyl	phenyl	NOUN
eurjchem-2275	138	3	(	(	PUNCT
eurjchem-2275	138	4	20	20	NUM
eurjchem-2275	138	5	-	-	SYM
eurjchem-2275	138	6	21	21	NUM
eurjchem-2275	138	7	)	)	PUNCT
eurjchem-2275	138	8	2.91	2.91	NUM
eurjchem-2275	138	9	2.85	2.85	NUM
eurjchem-2275	138	10	ch2	ch2	NOUN
eurjchem-2275	138	11	,	,	PUNCT
eurjchem-2275	138	12	adj	adj	PROPN
eurjchem-2275	138	13	.	.	PROPN
eurjchem-2275	138	14	to	to	PART
eurjchem-2275	138	15	amide	amide	VERB
eurjchem-2275	138	16	(	(	PUNCT
eurjchem-2275	138	17	17	17	NUM
eurjchem-2275	138	18	-	-	SYM
eurjchem-2275	138	19	18	18	NUM
eurjchem-2275	138	20	)	)	PUNCT
eurjchem-2275	138	21	3.47	3.47	NUM
eurjchem-2275	138	22	3.58	3.58	NUM
eurjchem-2275	138	23	phenyl	phenyl	NOUN
eurjchem-2275	138	24	(	(	PUNCT
eurjchem-2275	138	25	30	30	NUM
eurjchem-2275	138	26	,	,	PUNCT
eurjchem-2275	138	27	32	32	NUM
eurjchem-2275	138	28	)	)	PUNCT
eurjchem-2275	138	29	7.40	7.40	NUM
eurjchem-2275	138	30	6.84	6.84	NUM
eurjchem-2275	138	31	phenyl	phenyl	NOUN
eurjchem-2275	138	32	(	(	PUNCT
eurjchem-2275	138	33	29	29	NUM
eurjchem-2275	138	34	,	,	PUNCT
eurjchem-2275	138	35	33	33	NUM
eurjchem-2275	138	36	)	)	PUNCT
eurjchem-2275	138	37	7.65	7.65	NUM
eurjchem-2275	138	38	7.16	7.16	NUM
eurjchem-2275	138	39	phenyl	phenyl	NOUN
eurjchem-2275	138	40	(	(	PUNCT
eurjchem-2275	138	41	10	10	NUM
eurjchem-2275	138	42	-	-	SYM
eurjchem-2275	138	43	11	11	NUM
eurjchem-2275	138	44	)	)	PUNCT
eurjchem-2275	138	45	7.70	7.70	NUM
eurjchem-2275	138	46	7.50	7.50	NUM
eurjchem-2275	138	47	phenyl	phenyl	NOUN
eurjchem-2275	138	48	(	(	PUNCT
eurjchem-2275	138	49	12	12	NUM
eurjchem-2275	138	50	,	,	PUNCT
eurjchem-2275	138	51	14	14	NUM
eurjchem-2275	138	52	)	)	PUNCT
eurjchem-2275	138	53	8.03	8.03	NUM
eurjchem-2275	138	54	7.87	7.87	NUM
eurjchem-2275	138	55	carbon(s	carbon(s	NOUN
eurjchem-2275	138	56	)	)	PUNCT
eurjchem-2275	138	57	(	(	PUNCT
eurjchem-2275	138	58	atom	atom	NOUN
eurjchem-2275	138	59	number	number	NOUN
eurjchem-2275	138	60	)	)	PUNCT
eurjchem-2275	138	61	δtheor	δtheor	NOUN
eurjchem-2275	138	62	.	.	PUNCT
eurjchem-2275	139	1	(	(	PUNCT
eurjchem-2275	139	2	ppm	ppm	NOUN
eurjchem-2275	139	3	)	)	PUNCT
eurjchem-2275	139	4	δexp	δexp	NOUN
eurjchem-2275	139	5	.	.	PUNCT
eurjchem-2275	140	1	(	(	PUNCT
eurjchem-2275	140	2	ppm	ppm	NOUN
eurjchem-2275	140	3	)	)	PUNCT
eurjchem-2275	140	4	methyl	methyl	NOUN
eurjchem-2275	140	5	(	(	PUNCT
eurjchem-2275	140	6	36	36	NUM
eurjchem-2275	140	7	,	,	PUNCT
eurjchem-2275	140	8	40	40	NUM
eurjchem-2275	140	9	)	)	PUNCT
eurjchem-2275	140	10	26.0	26.0	NUM
eurjchem-2275	140	11	26.6	26.6	NUM
eurjchem-2275	140	12	ch2	ch2	PROPN
eurjchem-2275	140	13	adj	adj	PROPN
eurjchem-2275	140	14	.	.	PROPN
eurjchem-2275	140	15	to	to	ADP
eurjchem-2275	140	16	phenyl	phenyl	NOUN
eurjchem-2275	140	17	(	(	PUNCT
eurjchem-2275	140	18	19	19	NUM
eurjchem-2275	140	19	)	)	PUNCT
eurjchem-2275	140	20	41.6	41.6	NUM
eurjchem-2275	140	21	35.5	35.5	NUM
eurjchem-2275	140	22	ch2	ch2	NOUN
eurjchem-2275	140	23	adj	adj	PROPN
eurjchem-2275	140	24	.	.	PROPN
eurjchem-2275	141	1	to	to	PART
eurjchem-2275	141	2	amide	amide	VERB
eurjchem-2275	141	3	(	(	PUNCT
eurjchem-2275	141	4	16	16	NUM
eurjchem-2275	141	5	)	)	PUNCT
eurjchem-2275	141	6	48.8	48.8	NUM
eurjchem-2275	141	7	42.3	42.3	NUM
eurjchem-2275	141	8	quaternary	quaternary	NOUN
eurjchem-2275	141	9	(	(	PUNCT
eurjchem-2275	141	10	35	35	NUM
eurjchem-2275	141	11	)	)	PUNCT
eurjchem-2275	141	12	91.3	91.3	NUM
eurjchem-2275	141	13	79.5	79.5	NUM
eurjchem-2275	141	14	phenyl	phenyl	NOUN
eurjchem-2275	141	15	(	(	PUNCT
eurjchem-2275	141	16	25	25	NUM
eurjchem-2275	141	17	,	,	PUNCT
eurjchem-2275	141	18	27	27	NUM
eurjchem-2275	141	19	)	)	PUNCT
eurjchem-2275	141	20	138.2	138.2	NUM
eurjchem-2275	141	21	120.1	120.1	NUM
eurjchem-2275	141	22	phenyl	phenyl	NOUN
eurjchem-2275	141	23	(	(	PUNCT
eurjchem-2275	141	24	4	4	NUM
eurjchem-2275	141	25	,	,	PUNCT
eurjchem-2275	141	26	6	6	NUM
eurjchem-2275	141	27	)	)	PUNCT
eurjchem-2275	141	28	135.7	135.7	NUM
eurjchem-2275	141	29	129.3	129.3	NUM
eurjchem-2275	141	30	phenyl	phenyl	NOUN
eurjchem-2275	141	31	(	(	PUNCT
eurjchem-2275	141	32	7	7	NUM
eurjchem-2275	141	33	,	,	PUNCT
eurjchem-2275	141	34	9	9	NUM
eurjchem-2275	141	35	)	)	PUNCT
eurjchem-2275	141	36	135.7	135.7	NUM
eurjchem-2275	141	37	129.8	129.8	NUM
eurjchem-2275	141	38	phenyl	phenyl	NOUN
eurjchem-2275	141	39	(	(	PUNCT
eurjchem-2275	141	40	24	24	NUM
eurjchem-2275	141	41	,	,	PUNCT
eurjchem-2275	141	42	28	28	NUM
eurjchem-2275	141	43	)	)	PUNCT
eurjchem-2275	141	44	137.4	137.4	NUM
eurjchem-2275	141	45	130.3	130.3	NUM
eurjchem-2275	141	46	phenyl	phenyl	NOUN
eurjchem-2275	141	47	adj	adj	NOUN
eurjchem-2275	141	48	.	.	PROPN
eurjchem-2275	141	49	to	to	PART
eurjchem-2275	141	50	amide	amide	VERB
eurjchem-2275	141	51	(	(	PUNCT
eurjchem-2275	141	52	8)	8)	NUM
eurjchem-2275	141	53	141.2	141.2	NUM
eurjchem-2275	141	54	134.0	134.0	NUM
eurjchem-2275	141	55	phenyl	phenyl	NOUN
eurjchem-2275	141	56	adj	adj	NOUN
eurjchem-2275	141	57	.	.	PROPN
eurjchem-2275	142	1	to	to	PART
eurjchem-2275	142	2	ch2	ch2	PROPN
eurjchem-2275	142	3	(	(	PUNCT
eurjchem-2275	142	4	23	23	NUM
eurjchem-2275	142	5	)	)	PUNCT
eurjchem-2275	142	6	146.4	146.4	NUM
eurjchem-2275	142	7	134.8	134.8	NUM
eurjchem-2275	142	8	phenyl	phenyl	NOUN
eurjchem-2275	142	9	adj	adj	NOUN
eurjchem-2275	142	10	.	.	PROPN
eurjchem-2275	143	1	to	to	PART
eurjchem-2275	143	2	cl	cl	VERB
eurjchem-2275	143	3	(	(	PUNCT
eurjchem-2275	143	4	5	5	NUM
eurjchem-2275	143	5	)	)	PUNCT
eurjchem-2275	143	6	153.9	153.9	NUM
eurjchem-2275	143	7	138.7	138.7	NUM
eurjchem-2275	143	8	phenyl	phenyl	NOUN
eurjchem-2275	143	9	adj	adj	NOUN
eurjchem-2275	143	10	.	.	PROPN
eurjchem-2275	144	1	to	to	ADP
eurjchem-2275	144	2	o	o	PROPN
eurjchem-2275	144	3	(	(	PUNCT
eurjchem-2275	144	4	26	26	NUM
eurjchem-2275	144	5	)	)	PUNCT
eurjchem-2275	144	6	159.4	159.4	NUM
eurjchem-2275	144	7	155.0	155.0	NUM
eurjchem-2275	144	8	amide	amide	NOUN
eurjchem-2275	144	9	(	(	PUNCT
eurjchem-2275	144	10	13	13	NUM
eurjchem-2275	144	11	)	)	PUNCT
eurjchem-2275	144	12	173.9	173.9	NUM
eurjchem-2275	144	13	166.2	166.2	NUM
eurjchem-2275	144	14	carboxyl	carboxyl	NOUN
eurjchem-2275	144	15	(	(	PUNCT
eurjchem-2275	144	16	22	22	NUM
eurjchem-2275	144	17	)	)	PUNCT
eurjchem-2275	144	18	185.9	185.9	NUM
eurjchem-2275	144	19	175.6	175.6	NUM
eurjchem-2275	144	20	(	(	PUNCT
eurjchem-2275	144	21	a	a	NOUN
eurjchem-2275	144	22	)	)	PUNCT
eurjchem-2275	144	23	(	(	PUNCT
eurjchem-2275	144	24	b	b	X
eurjchem-2275	144	25	)	)	PUNCT
eurjchem-2275	144	26	figure	figure	NOUN
eurjchem-2275	144	27	6	6	NUM
eurjchem-2275	144	28	.	.	PUNCT
eurjchem-2275	145	1	(	(	PUNCT
eurjchem-2275	145	2	a	a	X
eurjchem-2275	145	3	)	)	PUNCT
eurjchem-2275	145	4	atom	atom	NOUN
eurjchem-2275	145	5	by	by	ADP
eurjchem-2275	145	6	atom	atom	NOUN
eurjchem-2275	145	7	superposition	superposition	NOUN
eurjchem-2275	145	8	of	of	ADP
eurjchem-2275	145	9	fibric	fibric	ADJ
eurjchem-2275	145	10	acids	acid	NOUN
eurjchem-2275	145	11	based	base	VERB
eurjchem-2275	145	12	on	on	ADP
eurjchem-2275	145	13	13	13	NUM
eurjchem-2275	145	14	-	-	PUNCT
eurjchem-2275	145	15	atom	atom	NOUN
eurjchem-2275	145	16	fragments	fragment	NOUN
eurjchem-2275	145	17	that	that	PRON
eurjchem-2275	145	18	are	be	AUX
eurjchem-2275	145	19	identical	identical	ADJ
eurjchem-2275	145	20	and	and	CCONJ
eurjchem-2275	145	21	maintain	maintain	VERB
eurjchem-2275	145	22	the	the	DET
eurjchem-2275	145	23	same	same	ADJ
eurjchem-2275	145	24	connectivity	connectivity	NOUN
eurjchem-2275	145	25	.	.	PUNCT
eurjchem-2275	146	1	(	(	PUNCT
eurjchem-2275	146	2	b	b	X
eurjchem-2275	146	3	)	)	PUNCT
eurjchem-2275	146	4	atom	atom	NOUN
eurjchem-2275	146	5	by	by	ADP
eurjchem-2275	146	6	atom	atom	NOUN
eurjchem-2275	146	7	superposition	superposition	NOUN
eurjchem-2275	146	8	of	of	ADP
eurjchem-2275	146	9	fibric	fibric	ADJ
eurjchem-2275	146	10	acids	acid	NOUN
eurjchem-2275	146	11	based	base	VERB
eurjchem-2275	146	12	on	on	ADP
eurjchem-2275	146	13	24	24	NUM
eurjchem-2275	146	14	-	-	PUNCT
eurjchem-2275	146	15	atom	atom	NOUN
eurjchem-2275	146	16	fragments	fragment	NOUN
eurjchem-2275	146	17	that	that	PRON
eurjchem-2275	146	18	are	be	AUX
eurjchem-2275	146	19	identical	identical	ADJ
eurjchem-2275	146	20	and	and	CCONJ
eurjchem-2275	146	21	maintain	maintain	VERB
eurjchem-2275	146	22	same	same	ADJ
eurjchem-2275	146	23	connectivity	connectivity	NOUN
eurjchem-2275	146	24	.	.	PUNCT
eurjchem-2275	147	1	since	since	SCONJ
eurjchem-2275	147	2	gem	gem	NOUN
eurjchem-2275	147	3	lacks	lack	VERB
eurjchem-2275	147	4	the	the	DET
eurjchem-2275	147	5	phenoxy	phenoxy	ADJ
eurjchem-2275	147	6	fragment	fragment	NOUN
eurjchem-2275	147	7	connectivity	connectivity	NOUN
eurjchem-2275	147	8	it	it	PRON
eurjchem-2275	147	9	is	be	AUX
eurjchem-2275	147	10	not	not	PART
eurjchem-2275	147	11	included	include	VERB
eurjchem-2275	147	12	in	in	ADP
eurjchem-2275	147	13	the	the	DET
eurjchem-2275	147	14	24	24	NUM
eurjchem-2275	147	15	-	-	PUNCT
eurjchem-2275	147	16	atom	atom	NOUN
eurjchem-2275	147	17	overlay	overlay	NOUN
eurjchem-2275	147	18	.	.	PUNCT
eurjchem-2275	148	1	molecular	molecular	ADJ
eurjchem-2275	148	2	color	color	NOUN
eurjchem-2275	148	3	:	:	PUNCT
eurjchem-2275	148	4	beza	beza	PROPN
eurjchem-2275	148	5	beige	beige	PROPN
eurjchem-2275	148	6	,	,	PUNCT
eurjchem-2275	148	7	fen	fen	PROPN
eurjchem-2275	148	8	pink	pink	ADJ
eurjchem-2275	148	9	,	,	PUNCT
eurjchem-2275	148	10	clo	clo	PROPN
eurjchem-2275	148	11	green	green	PROPN
eurjchem-2275	148	12	,	,	PUNCT
eurjchem-2275	148	13	gem	gem	NOUN
eurjchem-2275	148	14	gray	gray	NOUN
eurjchem-2275	148	15	.	.	PUNCT
eurjchem-2275	149	1	atom	atom	NOUN
eurjchem-2275	149	2	color	color	NOUN
eurjchem-2275	149	3	:	:	PUNCT
eurjchem-2275	149	4	cl	cl	NOUN
eurjchem-2275	149	5	green	green	NOUN
eurjchem-2275	149	6	,	,	PUNCT
eurjchem-2275	149	7	o	o	NOUN
eurjchem-2275	149	8	–	–	PUNCT
eurjchem-2275	149	9	red	red	ADJ
eurjchem-2275	149	10	,	,	PUNCT
eurjchem-2275	149	11	n	n	CCONJ
eurjchem-2275	149	12	blue	blue	NOUN
eurjchem-2275	149	13	,	,	PUNCT
eurjchem-2275	149	14	c	c	NOUN
eurjchem-2275	149	15	–	–	PUNCT
eurjchem-2275	149	16	color	color	NOUN
eurjchem-2275	149	17	of	of	ADP
eurjchem-2275	149	18	fibric	fibric	ADJ
eurjchem-2275	149	19	acid	acid	NOUN
eurjchem-2275	149	20	,	,	PUNCT
eurjchem-2275	149	21	h	h	NOUN
eurjchem-2275	149	22	–	–	PUNCT
eurjchem-2275	149	23	white	white	ADJ
eurjchem-2275	149	24	.	.	PUNCT
eurjchem-2275	150	1	all	all	DET
eurjchem-2275	150	2	fibric	fibric	ADJ
eurjchem-2275	150	3	acids	acid	NOUN
eurjchem-2275	150	4	are	be	AUX
eurjchem-2275	150	5	compared	compare	VERB
eurjchem-2275	150	6	against	against	ADP
eurjchem-2275	150	7	the	the	DET
eurjchem-2275	150	8	smallest	small	ADJ
eurjchem-2275	150	9	member	member	NOUN
eurjchem-2275	150	10	,	,	PUNCT
eurjchem-2275	150	11	clo	clo	PROPN
eurjchem-2275	150	12	.	.	PUNCT
eurjchem-2275	151	1	clo	clo	PROPN
eurjchem-2275	151	2	has	have	VERB
eurjchem-2275	151	3	all	all	DET
eurjchem-2275	151	4	most	most	ADV
eurjchem-2275	151	5	common	common	ADJ
eurjchem-2275	151	6	functional	functional	ADJ
eurjchem-2275	151	7	groups	group	NOUN
eurjchem-2275	151	8	found	find	VERB
eurjchem-2275	151	9	in	in	ADP
eurjchem-2275	151	10	the	the	DET
eurjchem-2275	151	11	class	class	NOUN
eurjchem-2275	151	12	of	of	ADP
eurjchem-2275	151	13	fibric	fibric	ADJ
eurjchem-2275	151	14	acids	acid	NOUN
eurjchem-2275	151	15	.	.	PUNCT
eurjchem-2275	152	1	fen	fen	PROPN
eurjchem-2275	152	2	has	have	VERB
eurjchem-2275	152	3	an	an	DET
eurjchem-2275	152	4	additional	additional	ADJ
eurjchem-2275	152	5	aromatic	aromatic	ADJ
eurjchem-2275	152	6	ring	ring	NOUN
eurjchem-2275	152	7	,	,	PUNCT
eurjchem-2275	152	8	but	but	CCONJ
eurjchem-2275	152	9	it	it	PRON
eurjchem-2275	152	10	is	be	AUX
eurjchem-2275	152	11	part	part	NOUN
eurjchem-2275	152	12	of	of	ADP
eurjchem-2275	152	13	a	a	DET
eurjchem-2275	152	14	benzophenonyl	benzophenonyl	NOUN
eurjchem-2275	152	15	group	group	NOUN
eurjchem-2275	152	16	,	,	PUNCT
eurjchem-2275	152	17	and	and	CCONJ
eurjchem-2275	152	18	it	it	PRON
eurjchem-2275	152	19	differs	differ	VERB
eurjchem-2275	152	20	from	from	ADP
eurjchem-2275	152	21	beza	beza	PROPN
eurjchem-2275	152	22	by	by	ADP
eurjchem-2275	152	23	the	the	DET
eurjchem-2275	152	24	number	number	NOUN
eurjchem-2275	152	25	of	of	ADP
eurjchem-2275	152	26	atoms	atom	NOUN
eurjchem-2275	152	27	and	and	CCONJ
eurjchem-2275	152	28	groups	group	NOUN
eurjchem-2275	152	29	linking	link	VERB
eurjchem-2275	152	30	the	the	DET
eurjchem-2275	152	31	two	two	NUM
eurjchem-2275	152	32	aromatic	aromatic	ADJ
eurjchem-2275	152	33	rings	ring	NOUN
eurjchem-2275	152	34	.	.	PUNCT
eurjchem-2275	153	1	gem	gem	PROPN
eurjchem-2275	153	2	has	have	VERB
eurjchem-2275	153	3	only	only	ADV
eurjchem-2275	153	4	one	one	NUM
eurjchem-2275	153	5	aromatic	aromatic	ADJ
eurjchem-2275	153	6	ring	ring	NOUN
eurjchem-2275	153	7	but	but	CCONJ
eurjchem-2275	153	8	a	a	DET
eurjchem-2275	153	9	linker	linker	NOUN
eurjchem-2275	153	10	with	with	ADP
eurjchem-2275	153	11	three	three	NUM
eurjchem-2275	153	12	adjacent	adjacent	ADJ
eurjchem-2275	153	13	methylene	methylene	NOUN
eurjchem-2275	153	14	groups	group	NOUN
eurjchem-2275	153	15	,	,	PUNCT
eurjchem-2275	153	16	the	the	DET
eurjchem-2275	153	17	most	most	ADV
eurjchem-2275	153	18	out	out	ADP
eurjchem-2275	153	19	of	of	ADP
eurjchem-2275	153	20	the	the	DET
eurjchem-2275	153	21	fibric	fibric	ADJ
eurjchem-2275	153	22	acids	acid	NOUN
eurjchem-2275	153	23	,	,	PUNCT
eurjchem-2275	153	24	whereas	whereas	SCONJ
eurjchem-2275	153	25	beza	beza	PROPN
eurjchem-2275	153	26	has	have	VERB
eurjchem-2275	153	27	only	only	ADV
eurjchem-2275	153	28	two	two	NUM
eurjchem-2275	153	29	.	.	PUNCT
eurjchem-2275	154	1	the	the	DET
eurjchem-2275	154	2	computations	computation	NOUN
eurjchem-2275	154	3	show	show	VERB
eurjchem-2275	154	4	each	each	PRON
eurjchem-2275	154	5	of	of	ADP
eurjchem-2275	154	6	the	the	DET
eurjchem-2275	154	7	fibric	fibric	ADJ
eurjchem-2275	154	8	acids	acid	NOUN
eurjchem-2275	154	9	with	with	ADP
eurjchem-2275	154	10	one	one	NUM
eurjchem-2275	154	11	or	or	CCONJ
eurjchem-2275	154	12	two	two	NUM
eurjchem-2275	154	13	of	of	ADP
eurjchem-2275	154	14	its	its	PRON
eurjchem-2275	154	15	most	most	ADV
eurjchem-2275	154	16	abundant	abundant	ADJ
eurjchem-2275	154	17	conformers	conformer	NOUN
eurjchem-2275	154	18	containing	contain	VERB
eurjchem-2275	154	19	an	an	DET
eurjchem-2275	154	20	intramolecular	intramolecular	ADJ
eurjchem-2275	154	21	hydrogen	hydrogen	NOUN
eurjchem-2275	154	22	bond	bond	NOUN
eurjchem-2275	154	23	between	between	ADP
eurjchem-2275	154	24	the	the	DET
eurjchem-2275	154	25	carboxyl	carboxyl	NOUN
eurjchem-2275	154	26	and	and	CCONJ
eurjchem-2275	154	27	the	the	DET
eurjchem-2275	154	28	ether	ether	ADJ
eurjchem-2275	154	29	groups	group	NOUN
eurjchem-2275	154	30	,	,	PUNCT
eurjchem-2275	154	31	except	except	SCONJ
eurjchem-2275	154	32	for	for	ADP
eurjchem-2275	154	33	gem	gem	NOUN
eurjchem-2275	154	34	,	,	PUNCT
eurjchem-2275	154	35	where	where	SCONJ
eurjchem-2275	154	36	these	these	DET
eurjchem-2275	154	37	groups	group	NOUN
eurjchem-2275	154	38	are	be	AUX
eurjchem-2275	154	39	farther	far	ADV
eurjchem-2275	154	40	apart	apart	ADV
eurjchem-2275	154	41	.	.	PUNCT
eurjchem-2275	155	1	these	these	DET
eurjchem-2275	155	2	bonds	bond	NOUN
eurjchem-2275	155	3	are	be	AUX
eurjchem-2275	155	4	found	find	VERB
eurjchem-2275	155	5	in	in	ADP
eurjchem-2275	155	6	beza	beza	PROPN
eurjchem-2275	155	7	a	a	PROPN
eurjchem-2275	155	8	and	and	CCONJ
eurjchem-2275	155	9	b	b	NOUN
eurjchem-2275	155	10	,	,	PUNCT
eurjchem-2275	155	11	clo	clo	X
eurjchem-2275	155	12	a	a	PRON
eurjchem-2275	155	13	,	,	PUNCT
eurjchem-2275	155	14	and	and	CCONJ
eurjchem-2275	155	15	fen	fen	PROPN
eurjchem-2275	155	16	a	a	PROPN
eurjchem-2275	155	17	and	and	CCONJ
eurjchem-2275	155	18	b.	b.	PROPN
eurjchem-2275	155	19	each	each	DET
eurjchem-2275	155	20	such	such	ADJ
eurjchem-2275	155	21	bond	bond	NOUN
eurjchem-2275	155	22	gives	give	VERB
eurjchem-2275	155	23	a	a	DET
eurjchem-2275	155	24	near	near	ADV
eurjchem-2275	155	25	-	-	PUNCT
eurjchem-2275	155	26	planar	planar	ADJ
eurjchem-2275	155	27	five	five	NUM
eurjchem-2275	155	28	-	-	PUNCT
eurjchem-2275	155	29	member	member	NOUN
eurjchem-2275	155	30	ring	ring	NOUN
eurjchem-2275	155	31	with	with	ADP
eurjchem-2275	155	32	an	an	DET
eurjchem-2275	155	33	o···h	o···h	NOUN
eurjchem-2275	155	34	distance	distance	NOUN
eurjchem-2275	155	35	of	of	ADP
eurjchem-2275	155	36	1.84	1.84	NUM
eurjchem-2275	155	37	å	å	NOUN
eurjchem-2275	155	38	,	,	PUNCT
eurjchem-2275	155	39	which	which	PRON
eurjchem-2275	155	40	accounts	account	VERB
eurjchem-2275	155	41	for	for	ADP
eurjchem-2275	155	42	the	the	DET
eurjchem-2275	155	43	anticonformation	anticonformation	NOUN
eurjchem-2275	155	44	of	of	ADP
eurjchem-2275	155	45	the	the	DET
eurjchem-2275	155	46	carboxyl	carboxyl	NOUN
eurjchem-2275	155	47	group	group	NOUN
eurjchem-2275	155	48	rather	rather	ADV
eurjchem-2275	155	49	than	than	ADP
eurjchem-2275	155	50	the	the	DET
eurjchem-2275	155	51	usually	usually	ADV
eurjchem-2275	155	52	preferred	prefer	VERB
eurjchem-2275	155	53	syn	syn	NOUN
eurjchem-2275	156	1	[	[	X
eurjchem-2275	156	2	25	25	NUM
eurjchem-2275	156	3	]	]	PUNCT
eurjchem-2275	156	4	as	as	SCONJ
eurjchem-2275	156	5	found	find	VERB
eurjchem-2275	156	6	for	for	ADP
eurjchem-2275	156	7	other	other	ADJ
eurjchem-2275	156	8	conformers	conformer	NOUN
eurjchem-2275	156	9	.	.	PUNCT
eurjchem-2275	157	1	for	for	ADP
eurjchem-2275	157	2	clo	clo	PROPN
eurjchem-2275	157	3	,	,	PUNCT
eurjchem-2275	157	4	the	the	DET
eurjchem-2275	157	5	a	a	DET
eurjchem-2275	157	6	conformer	conformer	NOUN
eurjchem-2275	157	7	has	have	VERB
eurjchem-2275	157	8	95	95	NUM
eurjchem-2275	157	9	%	%	NOUN
eurjchem-2275	157	10	of	of	ADP
eurjchem-2275	157	11	the	the	DET
eurjchem-2275	157	12	boltzmann	boltzmann	PROPN
eurjchem-2275	157	13	population	population	NOUN
eurjchem-2275	157	14	and	and	CCONJ
eurjchem-2275	157	15	is	be	AUX
eurjchem-2275	157	16	the	the	DET
eurjchem-2275	157	17	only	only	ADJ
eurjchem-2275	157	18	one	one	NUM
eurjchem-2275	157	19	with	with	ADP
eurjchem-2275	157	20	a	a	DET
eurjchem-2275	157	21	plane	plane	NOUN
eurjchem-2275	157	22	of	of	ADP
eurjchem-2275	157	23	symmetry	symmetry	NOUN
eurjchem-2275	157	24	.	.	PUNCT
eurjchem-2275	158	1	besides	besides	SCONJ
eurjchem-2275	158	2	having	have	VERB
eurjchem-2275	158	3	the	the	DET
eurjchem-2275	158	4	most	most	ADV
eurjchem-2275	158	5	favorable	favorable	ADJ
eurjchem-2275	158	6	g	g	PROPN
eurjchem-2275	158	7	°	°	PROPN
eurjchem-2275	158	8	,	,	PUNCT
eurjchem-2275	158	9	a	a	PRON
eurjchem-2275	158	10	also	also	ADV
eurjchem-2275	158	11	has	have	VERB
eurjchem-2275	158	12	the	the	DET
eurjchem-2275	158	13	most	most	ADV
eurjchem-2275	158	14	favorable	favorable	ADJ
eurjchem-2275	158	15	e	e	NOUN
eurjchem-2275	158	16	and	and	CCONJ
eurjchem-2275	158	17	s	s	PROPN
eurjchem-2275	158	18	°	°	PROPN
eurjchem-2275	158	19	.	.	PUNCT
eurjchem-2275	159	1	the	the	DET
eurjchem-2275	159	2	other	other	ADJ
eurjchem-2275	159	3	three	three	NUM
eurjchem-2275	159	4	conformers	conformer	NOUN
eurjchem-2275	159	5	b	b	PROPN
eurjchem-2275	159	6	-	-	PUNCT
eurjchem-2275	159	7	d	d	PROPN
eurjchem-2275	159	8	,	,	PUNCT
eurjchem-2275	159	9	with	with	ADP
eurjchem-2275	159	10	no	no	DET
eurjchem-2275	159	11	h	h	NOUN
eurjchem-2275	159	12	bonding	bonding	NOUN
eurjchem-2275	159	13	and	and	CCONJ
eurjchem-2275	159	14	syn	syn	NOUN
eurjchem-2275	159	15	carboxyl	carboxyl	NOUN
eurjchem-2275	159	16	groups	group	NOUN
eurjchem-2275	159	17	,	,	PUNCT
eurjchem-2275	159	18	have	have	VERB
eurjchem-2275	159	19	g	g	NOUN
eurjchem-2275	159	20	°	°	NOUN
eurjchem-2275	159	21	9	9	NUM
eurjchem-2275	159	22	to	to	PART
eurjchem-2275	159	23	12	12	NUM
eurjchem-2275	159	24	kj	kj	PROPN
eurjchem-2275	159	25	/	/	SYM
eurjchem-2275	159	26	mol	mol	ADP
eurjchem-2275	159	27	less	less	ADV
eurjchem-2275	159	28	negative	negative	ADJ
eurjchem-2275	159	29	,	,	PUNCT
eurjchem-2275	159	30	giving	give	VERB
eurjchem-2275	159	31	similar	similar	ADJ
eurjchem-2275	159	32	low	low	ADJ
eurjchem-2275	159	33	populations	population	NOUN
eurjchem-2275	159	34	.	.	PUNCT
eurjchem-2275	160	1	beza	beza	PROPN
eurjchem-2275	160	2	’s	’s	PART
eurjchem-2275	160	3	conformers	conformers	PROPN
eurjchem-2275	160	4	a	a	DET
eurjchem-2275	160	5	and	and	CCONJ
eurjchem-2275	160	6	b	b	NOUN
eurjchem-2275	160	7	account	account	NOUN
eurjchem-2275	160	8	for	for	ADP
eurjchem-2275	160	9	over	over	ADP
eurjchem-2275	160	10	90	90	NUM
eurjchem-2275	160	11	%	%	NOUN
eurjchem-2275	160	12	of	of	ADP
eurjchem-2275	160	13	the	the	DET
eurjchem-2275	160	14	computed	computed	ADJ
eurjchem-2275	160	15	boltzmann	boltzmann	PROPN
eurjchem-2275	160	16	population	population	NOUN
eurjchem-2275	160	17	.	.	PUNCT
eurjchem-2275	161	1	they	they	PRON
eurjchem-2275	161	2	have	have	VERB
eurjchem-2275	161	3	g	g	NOUN
eurjchem-2275	161	4	°	°	NOUN
eurjchem-2275	161	5	within	within	ADP
eurjchem-2275	161	6	2.5	2.5	NUM
eurjchem-2275	161	7	kj	kj	NOUN
eurjchem-2275	161	8	/	/	SYM
eurjchem-2275	161	9	mol	mol	ADP
eurjchem-2275	161	10	of	of	ADP
eurjchem-2275	161	11	each	each	DET
eurjchem-2275	161	12	other	other	ADJ
eurjchem-2275	161	13	and	and	CCONJ
eurjchem-2275	161	14	are	be	AUX
eurjchem-2275	161	15	the	the	DET
eurjchem-2275	161	16	only	only	ADJ
eurjchem-2275	161	17	two	two	NUM
eurjchem-2275	161	18	beza	beza	NOUN
eurjchem-2275	161	19	conformers	conformer	NOUN
eurjchem-2275	161	20	with	with	ADP
eurjchem-2275	161	21	elongated	elongate	VERB
eurjchem-2275	161	22	,	,	PUNCT
eurjchem-2275	161	23	rather	rather	ADV
eurjchem-2275	161	24	than	than	ADP
eurjchem-2275	161	25	bent	bent	ADJ
eurjchem-2275	161	26	,	,	PUNCT
eurjchem-2275	161	27	shapes	shape	NOUN
eurjchem-2275	161	28	and	and	CCONJ
eurjchem-2275	161	29	an	an	DET
eurjchem-2275	161	30	intramolecular	intramolecular	ADJ
eurjchem-2275	161	31	hydrogen	hydrogen	NOUN
eurjchem-2275	161	32	bond	bond	NOUN
eurjchem-2275	161	33	between	between	ADP
eurjchem-2275	161	34	the	the	DET
eurjchem-2275	161	35	carboxyl	carboxyl	NOUN
eurjchem-2275	161	36	h	h	NOUN
eurjchem-2275	161	37	atom	atom	NOUN
eurjchem-2275	161	38	and	and	CCONJ
eurjchem-2275	161	39	the	the	DET
eurjchem-2275	161	40	ether	ether	NOUN
eurjchem-2275	161	41	o	o	NOUN
eurjchem-2275	161	42	atom	atom	NOUN
eurjchem-2275	161	43	.	.	PUNCT
eurjchem-2275	162	1	the	the	DET
eurjchem-2275	162	2	two	two	NUM
eurjchem-2275	162	3	differ	differ	VERB
eurjchem-2275	162	4	in	in	ADP
eurjchem-2275	162	5	the	the	DET
eurjchem-2275	162	6	signs	sign	NOUN
eurjchem-2275	162	7	of	of	ADP
eurjchem-2275	162	8	approximately	approximately	ADV
eurjchem-2275	162	9	±	±	NUM
eurjchem-2275	162	10	90	90	NUM
eurjchem-2275	162	11	°	°	ADP
eurjchem-2275	162	12	respective	respective	ADJ
eurjchem-2275	162	13	torsion	torsion	NOUN
eurjchem-2275	162	14	angles	angle	NOUN
eurjchem-2275	162	15	about	about	ADP
eurjchem-2275	162	16	the	the	DET
eurjchem-2275	162	17	n1	n1	PROPN
eurjchem-2275	162	18	-	-	PUNCT
eurjchem-2275	162	19	c16	c16	PROPN
eurjchem-2275	162	20	bond	bond	NOUN
eurjchem-2275	162	21	(	(	PUNCT
eurjchem-2275	162	22	n	n	ADP
eurjchem-2275	162	23	to	to	ADP
eurjchem-2275	162	24	methylene	methylene	VERB
eurjchem-2275	162	25	c	c	NOUN
eurjchem-2275	162	26	)	)	PUNCT
eurjchem-2275	162	27	and	and	CCONJ
eurjchem-2275	162	28	the	the	DET
eurjchem-2275	162	29	c19	c19	PROPN
eurjchem-2275	162	30	-	-	PUNCT
eurjchem-2275	162	31	c23	c23	PROPN
eurjchem-2275	162	32	bond	bond	NOUN
eurjchem-2275	162	33	(	(	PUNCT
eurjchem-2275	162	34	the	the	DET
eurjchem-2275	162	35	other	other	ADJ
eurjchem-2275	162	36	methylene	methylene	NOUN
eurjchem-2275	162	37	c	c	PROPN
eurjchem-2275	162	38	to	to	ADP
eurjchem-2275	162	39	an	an	DET
eurjchem-2275	162	40	aromatic	aromatic	ADJ
eurjchem-2275	162	41	c	c	NOUN
eurjchem-2275	162	42	)	)	PUNCT
eurjchem-2275	162	43	.	.	PUNCT
eurjchem-2275	163	1	optimization	optimization	NOUN
eurjchem-2275	163	2	of	of	ADP
eurjchem-2275	163	3	the	the	DET
eurjchem-2275	163	4	observed	observed	ADJ
eurjchem-2275	163	5	crystal	crystal	NOUN
eurjchem-2275	163	6	structure	structure	NOUN
eurjchem-2275	163	7	[	[	X
eurjchem-2275	163	8	11	11	NUM
eurjchem-2275	163	9	]	]	PUNCT
eurjchem-2275	163	10	gives	give	VERB
eurjchem-2275	163	11	the	the	DET
eurjchem-2275	163	12	d	d	NOUN
eurjchem-2275	163	13	conformer	conformer	NOUN
eurjchem-2275	163	14	.	.	PUNCT
eurjchem-2275	164	1	only	only	ADV
eurjchem-2275	164	2	beza	beza	PROPN
eurjchem-2275	164	3	among	among	ADP
eurjchem-2275	164	4	these	these	DET
eurjchem-2275	164	5	fibric	fibric	ADJ
eurjchem-2275	164	6	acids	acid	NOUN
eurjchem-2275	164	7	has	have	VERB
eurjchem-2275	164	8	an	an	DET
eurjchem-2275	164	9	amide	amide	NOUN
eurjchem-2275	164	10	group	group	NOUN
eurjchem-2275	164	11	.	.	PUNCT
eurjchem-2275	165	1	the	the	DET
eurjchem-2275	165	2	amide	amide	NOUN
eurjchem-2275	165	3	n	n	CCONJ
eurjchem-2275	165	4	-	-	PUNCT
eurjchem-2275	165	5	c	c	NOUN
eurjchem-2275	165	6	bond	bond	NOUN
eurjchem-2275	165	7	length	length	NOUN
eurjchem-2275	165	8	is	be	AUX
eurjchem-2275	165	9	near	near	ADP
eurjchem-2275	165	10	1.36	1.36	NUM
eurjchem-2275	165	11	å	å	NOUN
eurjchem-2275	165	12	,	,	PUNCT
eurjchem-2275	165	13	consistent	consistent	ADJ
eurjchem-2275	165	14	with	with	ADP
eurjchem-2275	165	15	significant	significant	ADJ
eurjchem-2275	165	16	double	double	ADJ
eurjchem-2275	165	17	-	-	PUNCT
eurjchem-2275	165	18	bond	bond	NOUN
eurjchem-2275	165	19	character	character	NOUN
eurjchem-2275	165	20	[	[	X
eurjchem-2275	165	21	26	26	NUM
eurjchem-2275	165	22	]	]	PUNCT
eurjchem-2275	165	23	and	and	CCONJ
eurjchem-2275	165	24	limited	limited	ADJ
eurjchem-2275	165	25	torsion	torsion	NOUN
eurjchem-2275	165	26	.	.	PUNCT
eurjchem-2275	166	1	this	this	PRON
eurjchem-2275	166	2	is	be	AUX
eurjchem-2275	166	3	supported	support	VERB
eurjchem-2275	166	4	by	by	ADP
eurjchem-2275	166	5	the	the	DET
eurjchem-2275	166	6	computed	computed	ADJ
eurjchem-2275	166	7	nmr	nmr	NOUN
eurjchem-2275	166	8	results	result	NOUN
eurjchem-2275	166	9	,	,	PUNCT
eurjchem-2275	166	10	which	which	PRON
eurjchem-2275	166	11	show	show	VERB
eurjchem-2275	166	12	the	the	DET
eurjchem-2275	166	13	two	two	NUM
eurjchem-2275	166	14	phenyl	phenyl	NOUN
eurjchem-2275	166	15	atoms	atom	NOUN
eurjchem-2275	166	16	c7	c7	PROPN
eurjchem-2275	166	17	and	and	CCONJ
eurjchem-2275	166	18	c9	c9	PROPN
eurjchem-2275	166	19	to	to	PART
eurjchem-2275	166	20	be	be	AUX
eurjchem-2275	166	21	non	non	ADJ
eurjchem-2275	166	22	-	-	ADJ
eurjchem-2275	166	23	equivalent	equivalent	ADJ
eurjchem-2275	166	24	,	,	PUNCT
eurjchem-2275	166	25	with	with	ADP
eurjchem-2275	166	26	the	the	DET
eurjchem-2275	166	27	c	c	NOUN
eurjchem-2275	166	28	cis	cis	NOUN
eurjchem-2275	166	29	to	to	ADP
eurjchem-2275	166	30	the	the	DET
eurjchem-2275	166	31	amide	amide	NOUN
eurjchem-2275	166	32	o	o	PROPN
eurjchem-2275	166	33	more	more	ADV
eurjchem-2275	166	34	deshielded	deshielde	VERB
eurjchem-2275	166	35	by	by	ADP
eurjchem-2275	166	36	δ	δ	PROPN
eurjchem-2275	166	37	4.4	4.4	NUM
eurjchem-2275	166	38	ppm	ppm	NOUN
eurjchem-2275	166	39	compared	compare	VERB
eurjchem-2275	166	40	to	to	ADP
eurjchem-2275	166	41	the	the	DET
eurjchem-2275	166	42	c	c	NOUN
eurjchem-2275	166	43	cis	cis	NOUN
eurjchem-2275	166	44	to	to	ADP
eurjchem-2275	166	45	the	the	DET
eurjchem-2275	166	46	n.	n.	NOUN
eurjchem-2275	166	47	the	the	DET
eurjchem-2275	166	48	average	average	ADJ
eurjchem-2275	166	49	δ	δ	PROPN
eurjchem-2275	166	50	for	for	ADP
eurjchem-2275	166	51	these	these	DET
eurjchem-2275	166	52	two	two	NUM
eurjchem-2275	166	53	c	c	NOUN
eurjchem-2275	166	54	atoms	atom	NOUN
eurjchem-2275	166	55	is	be	AUX
eurjchem-2275	166	56	in	in	ADP
eurjchem-2275	166	57	table	table	NOUN
eurjchem-2275	166	58	6	6	NUM
eurjchem-2275	166	59	.	.	SYM
eurjchem-2275	166	60	192	192	NUM
eurjchem-2275	166	61	miller	miller	PROPN
eurjchem-2275	166	62	et	et	PROPN
eurjchem-2275	166	63	al	al	PROPN
eurjchem-2275	166	64	.	.	PUNCT
eurjchem-2275	166	65	/	/	SYM
eurjchem-2275	166	66	european	european	PROPN
eurjchem-2275	166	67	journal	journal	PROPN
eurjchem-2275	166	68	of	of	ADP
eurjchem-2275	166	69	chemistry	chemistry	NOUN
eurjchem-2275	166	70	13	13	NUM
eurjchem-2275	166	71	(	(	PUNCT
eurjchem-2275	166	72	2	2	NUM
eurjchem-2275	166	73	)	)	PUNCT
eurjchem-2275	166	74	(	(	PUNCT
eurjchem-2275	166	75	2022	2022	NUM
eurjchem-2275	166	76	)	)	PUNCT
eurjchem-2275	166	77	186	186	NUM
eurjchem-2275	166	78	-	-	SYM
eurjchem-2275	166	79	195	195	NUM
eurjchem-2275	166	80	2022	2022	NUM
eurjchem-2275	166	81	–	–	PUNCT
eurjchem-2275	166	82	european	european	ADJ
eurjchem-2275	166	83	journal	journal	NOUN
eurjchem-2275	166	84	of	of	ADP
eurjchem-2275	166	85	chemistry	chemistry	NOUN
eurjchem-2275	166	86	–	–	PUNCT
eurjchem-2275	166	87	cc	cc	NOUN
eurjchem-2275	166	88	by	by	ADP
eurjchem-2275	166	89	nc	nc	PROPN
eurjchem-2275	166	90	–	–	PUNCT
eurjchem-2275	166	91	doi	doi	NOUN
eurjchem-2275	166	92	:	:	PUNCT
eurjchem-2275	166	93	10.5155	10.5155	NUM
eurjchem-2275	166	94	/	/	SYM
eurjchem-2275	166	95	eurjchem.13.2.186	eurjchem.13.2.186	PROPN
eurjchem-2275	166	96	-	-	SYM
eurjchem-2275	166	97	195.2275	195.2275	NUM
eurjchem-2275	166	98	table	table	NOUN
eurjchem-2275	166	99	8	8	NUM
eurjchem-2275	166	100	.	.	PUNCT
eurjchem-2275	167	1	theoretical	theoretical	ADJ
eurjchem-2275	167	2	(	(	PUNCT
eurjchem-2275	167	3	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	167	4	-	-	NOUN
eurjchem-2275	167	5	311+g	311+g	ADJ
eurjchem-2275	167	6	*	*	NOUN
eurjchem-2275	167	7	*	*	PUNCT
eurjchem-2275	167	8	)	)	PUNCT
eurjchem-2275	167	9	and	and	CCONJ
eurjchem-2275	167	10	experimental	experimental	ADJ
eurjchem-2275	167	11	1h	1h	NUM
eurjchem-2275	167	12	and	and	CCONJ
eurjchem-2275	167	13	13c	13c	NOUN
eurjchem-2275	167	14	nmr	nmr	NOUN
eurjchem-2275	167	15	chemical	chemical	NOUN
eurjchem-2275	167	16	shifts	shift	NOUN
eurjchem-2275	167	17	for	for	ADP
eurjchem-2275	167	18	clofibric	clofibric	ADJ
eurjchem-2275	167	19	acid	acid	NOUN
eurjchem-2275	167	20	in	in	ADP
eurjchem-2275	167	21	acetone	acetone	NOUN
eurjchem-2275	167	22	.	.	PUNCT
eurjchem-2275	168	1	hydrogen(s	hydrogen(s	NOUN
eurjchem-2275	168	2	)	)	PUNCT
eurjchem-2275	168	3	(	(	PUNCT
eurjchem-2275	168	4	atom	atom	NOUN
eurjchem-2275	168	5	number	number	NOUN
eurjchem-2275	168	6	)	)	PUNCT
eurjchem-2275	168	7	δtheor	δtheor	NOUN
eurjchem-2275	168	8	.	.	PUNCT
eurjchem-2275	169	1	(	(	PUNCT
eurjchem-2275	169	2	ppm	ppm	NOUN
eurjchem-2275	169	3	)	)	PUNCT
eurjchem-2275	169	4	δexp	δexp	NOUN
eurjchem-2275	169	5	.	.	PUNCT
eurjchem-2275	170	1	(	(	PUNCT
eurjchem-2275	170	2	ppm	ppm	NOUN
eurjchem-2275	170	3	)	)	PUNCT
eurjchem-2275	170	4	methyl	methyl	NOUN
eurjchem-2275	170	5	(	(	PUNCT
eurjchem-2275	170	6	16	16	NUM
eurjchem-2275	170	7	-	-	SYM
eurjchem-2275	170	8	19	19	NUM
eurjchem-2275	170	9	,	,	PUNCT
eurjchem-2275	170	10	21	21	NUM
eurjchem-2275	170	11	-	-	SYM
eurjchem-2275	170	12	22	22	NUM
eurjchem-2275	170	13	)	)	PUNCT
eurjchem-2275	170	14	1.48	1.48	NUM
eurjchem-2275	170	15	1.59	1.59	NUM
eurjchem-2275	170	16	phenyl	phenyl	NOUN
eurjchem-2275	170	17	(	(	PUNCT
eurjchem-2275	170	18	20	20	NUM
eurjchem-2275	170	19	,	,	PUNCT
eurjchem-2275	170	20	25	25	NUM
eurjchem-2275	170	21	)	)	PUNCT
eurjchem-2275	170	22	7.36	7.36	NUM
eurjchem-2275	170	23	6.94	6.94	NUM
eurjchem-2275	170	24	phenyl	phenyl	NOUN
eurjchem-2275	170	25	(	(	PUNCT
eurjchem-2275	170	26	23	23	NUM
eurjchem-2275	170	27	-	-	SYM
eurjchem-2275	170	28	24	24	NUM
eurjchem-2275	170	29	)	)	PUNCT
eurjchem-2275	170	30	7.62	7.62	NUM
eurjchem-2275	170	31	7.3	7.3	NUM
eurjchem-2275	170	32	carbon(s	carbon(s	NOUN
eurjchem-2275	170	33	)	)	PUNCT
eurjchem-2275	170	34	(	(	PUNCT
eurjchem-2275	170	35	atom	atom	NOUN
eurjchem-2275	170	36	number	number	NOUN
eurjchem-2275	170	37	)	)	PUNCT
eurjchem-2275	170	38	δtheor	δtheor	NOUN
eurjchem-2275	170	39	.	.	PUNCT
eurjchem-2275	171	1	(	(	PUNCT
eurjchem-2275	171	2	ppm	ppm	NOUN
eurjchem-2275	171	3	)	)	PUNCT
eurjchem-2275	171	4	δexp	δexp	NOUN
eurjchem-2275	171	5	.	.	PUNCT
eurjchem-2275	172	1	(	(	PUNCT
eurjchem-2275	172	2	ppm	ppm	NOUN
eurjchem-2275	172	3	)	)	PUNCT
eurjchem-2275	172	4	methyl	methyl	NOUN
eurjchem-2275	172	5	(	(	PUNCT
eurjchem-2275	172	6	8	8	NUM
eurjchem-2275	172	7	,	,	PUNCT
eurjchem-2275	172	8	9	9	NUM
eurjchem-2275	172	9	)	)	PUNCT
eurjchem-2275	172	10	25.9	25.9	NUM
eurjchem-2275	172	11	25.5	25.5	NUM
eurjchem-2275	172	12	quaternary	quaternary	NOUN
eurjchem-2275	172	13	(	(	PUNCT
eurjchem-2275	172	14	7	7	NUM
eurjchem-2275	172	15	)	)	PUNCT
eurjchem-2275	172	16	92.0	92.0	NUM
eurjchem-2275	172	17	80.0	80.0	NUM
eurjchem-2275	172	18	phenyl	phenyl	NOUN
eurjchem-2275	172	19	(	(	PUNCT
eurjchem-2275	172	20	1	1	NUM
eurjchem-2275	172	21	,	,	PUNCT
eurjchem-2275	172	22	6	6	NUM
eurjchem-2275	172	23	)	)	PUNCT
eurjchem-2275	172	24	134.5	134.5	NUM
eurjchem-2275	172	25	121.6	121.6	NUM
eurjchem-2275	172	26	phenyl	phenyl	NOUN
eurjchem-2275	172	27	(	(	PUNCT
eurjchem-2275	172	28	2	2	NUM
eurjchem-2275	172	29	,	,	PUNCT
eurjchem-2275	172	30	4	4	NUM
eurjchem-2275	172	31	)	)	PUNCT
eurjchem-2275	172	32	136.4	136.4	NUM
eurjchem-2275	172	33	127.3	127.3	NUM
eurjchem-2275	172	34	phenyl	phenyl	NOUN
eurjchem-2275	172	35	adj	adj	NOUN
eurjchem-2275	172	36	.	.	PROPN
eurjchem-2275	173	1	to	to	PART
eurjchem-2275	173	2	cl	cl	VERB
eurjchem-2275	173	3	(	(	PUNCT
eurjchem-2275	173	4	5	5	NUM
eurjchem-2275	173	5	)	)	PUNCT
eurjchem-2275	173	6	147.0	147.0	NUM
eurjchem-2275	173	7	129.9	129.9	NUM
eurjchem-2275	173	8	phenyl	phenyl	NOUN
eurjchem-2275	173	9	adj	adj	PROPN
eurjchem-2275	173	10	.	.	PROPN
eurjchem-2275	174	1	to	to	ADP
eurjchem-2275	174	2	o	o	PROPN
eurjchem-2275	174	3	(	(	PUNCT
eurjchem-2275	174	4	3	3	NUM
eurjchem-2275	174	5	)	)	PUNCT
eurjchem-2275	174	6	159.9	159.9	NUM
eurjchem-2275	174	7	155.5	155.5	NUM
eurjchem-2275	174	8	carboxyl	carboxyl	NOUN
eurjchem-2275	174	9	(	(	PUNCT
eurjchem-2275	174	10	10	10	NUM
eurjchem-2275	174	11	)	)	PUNCT
eurjchem-2275	174	12	185.5	185.5	NUM
eurjchem-2275	174	13	175.1	175.1	NUM
eurjchem-2275	174	14	table	table	NOUN
eurjchem-2275	174	15	9	9	NUM
eurjchem-2275	174	16	.	.	PUNCT
eurjchem-2275	174	17	theoretical	theoretical	ADJ
eurjchem-2275	174	18	(	(	PUNCT
eurjchem-2275	174	19	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	174	20	-	-	NOUN
eurjchem-2275	174	21	311+g	311+g	ADJ
eurjchem-2275	174	22	*	*	NOUN
eurjchem-2275	174	23	*	*	PUNCT
eurjchem-2275	174	24	)	)	PUNCT
eurjchem-2275	174	25	and	and	CCONJ
eurjchem-2275	174	26	experimental	experimental	ADJ
eurjchem-2275	174	27	1h	1h	NUM
eurjchem-2275	174	28	and	and	CCONJ
eurjchem-2275	174	29	13c	13c	NOUN
eurjchem-2275	174	30	nmr	nmr	NOUN
eurjchem-2275	174	31	chemical	chemical	NOUN
eurjchem-2275	174	32	shifts	shift	NOUN
eurjchem-2275	174	33	for	for	ADP
eurjchem-2275	174	34	fenofibric	fenofibric	NOUN
eurjchem-2275	174	35	acid	acid	NOUN
eurjchem-2275	174	36	in	in	ADP
eurjchem-2275	174	37	acetone	acetone	NOUN
eurjchem-2275	174	38	.	.	PUNCT
eurjchem-2275	175	1	hydrogen(s	hydrogen(s	NOUN
eurjchem-2275	175	2	)	)	PUNCT
eurjchem-2275	175	3	(	(	PUNCT
eurjchem-2275	175	4	atom	atom	NOUN
eurjchem-2275	175	5	number	number	NOUN
eurjchem-2275	175	6	)	)	PUNCT
eurjchem-2275	175	7	δtheor	δtheor	NOUN
eurjchem-2275	175	8	.	.	PUNCT
eurjchem-2275	176	1	(	(	PUNCT
eurjchem-2275	176	2	ppm	ppm	NOUN
eurjchem-2275	176	3	)	)	PUNCT
eurjchem-2275	176	4	δexp	δexp	NOUN
eurjchem-2275	176	5	.	.	PUNCT
eurjchem-2275	177	1	(	(	PUNCT
eurjchem-2275	177	2	ppm	ppm	NOUN
eurjchem-2275	177	3	)	)	PUNCT
eurjchem-2275	177	4	methyl	methyl	NOUN
eurjchem-2275	177	5	(	(	PUNCT
eurjchem-2275	177	6	31	31	NUM
eurjchem-2275	177	7	-	-	SYM
eurjchem-2275	177	8	36	36	NUM
eurjchem-2275	177	9	)	)	PUNCT
eurjchem-2275	177	10	1.54	1.54	NUM
eurjchem-2275	177	11	1.68	1.68	NUM
eurjchem-2275	177	12	phenyl	phenyl	NOUN
eurjchem-2275	177	13	(	(	PUNCT
eurjchem-2275	177	14	29	29	NUM
eurjchem-2275	177	15	-	-	SYM
eurjchem-2275	177	16	30	30	NUM
eurjchem-2275	177	17	)	)	PUNCT
eurjchem-2275	177	18	7.54	7.54	NUM
eurjchem-2275	177	19	7.00	7.00	NUM
eurjchem-2275	177	20	phenyl	phenyl	NOUN
eurjchem-2275	177	21	(	(	PUNCT
eurjchem-2275	177	22	23	23	NUM
eurjchem-2275	177	23	,	,	PUNCT
eurjchem-2275	177	24	26	26	NUM
eurjchem-2275	177	25	)	)	PUNCT
eurjchem-2275	177	26	7.79	7.79	NUM
eurjchem-2275	177	27	7.57	7.57	NUM
eurjchem-2275	177	28	phenyl	phenyl	NOUN
eurjchem-2275	177	29	(	(	PUNCT
eurjchem-2275	177	30	24	24	NUM
eurjchem-2275	177	31	-	-	SYM
eurjchem-2275	177	32	25	25	NUM
eurjchem-2275	177	33	)	)	PUNCT
eurjchem-2275	177	34	8.24	8.24	NUM
eurjchem-2275	177	35	7.76	7.76	NUM
eurjchem-2275	177	36	phenyl	phenyl	NOUN
eurjchem-2275	177	37	(	(	PUNCT
eurjchem-2275	177	38	27	27	NUM
eurjchem-2275	177	39	-	-	SYM
eurjchem-2275	177	40	28	28	NUM
eurjchem-2275	177	41	)	)	PUNCT
eurjchem-2275	177	42	8.18	8.18	NUM
eurjchem-2275	177	43	7.77	7.77	NUM
eurjchem-2275	177	44	carbon(s	carbon(s	NOUN
eurjchem-2275	177	45	)	)	PUNCT
eurjchem-2275	177	46	(	(	PUNCT
eurjchem-2275	177	47	atom	atom	NOUN
eurjchem-2275	177	48	number	number	NOUN
eurjchem-2275	177	49	)	)	PUNCT
eurjchem-2275	177	50	δtheor	δtheor	NOUN
eurjchem-2275	177	51	.	.	PUNCT
eurjchem-2275	178	1	(	(	PUNCT
eurjchem-2275	178	2	ppm	ppm	NOUN
eurjchem-2275	178	3	)	)	PUNCT
eurjchem-2275	178	4	δexp	δexp	NOUN
eurjchem-2275	178	5	.	.	PUNCT
eurjchem-2275	179	1	(	(	PUNCT
eurjchem-2275	179	2	ppm	ppm	NOUN
eurjchem-2275	179	3	)	)	PUNCT
eurjchem-2275	179	4	methyl	methyl	NOUN
eurjchem-2275	179	5	(	(	PUNCT
eurjchem-2275	179	6	18	18	NUM
eurjchem-2275	179	7	-	-	SYM
eurjchem-2275	179	8	19	19	NUM
eurjchem-2275	179	9	)	)	PUNCT
eurjchem-2275	179	10	26.2	26.2	NUM
eurjchem-2275	179	11	25.7	25.7	NUM
eurjchem-2275	179	12	quaternary	quaternary	NOUN
eurjchem-2275	179	13	(	(	PUNCT
eurjchem-2275	179	14	17	17	NUM
eurjchem-2275	179	15	)	)	PUNCT
eurjchem-2275	179	16	92.9	92.9	NUM
eurjchem-2275	179	17	80.0	80.0	NUM
eurjchem-2275	179	18	phenyl	phenyl	NOUN
eurjchem-2275	179	19	(	(	PUNCT
eurjchem-2275	179	20	13	13	NUM
eurjchem-2275	179	21	-	-	SYM
eurjchem-2275	179	22	14	14	NUM
eurjchem-2275	179	23	)	)	PUNCT
eurjchem-2275	179	24	132.7	132.7	NUM
eurjchem-2275	179	25	118.4	118.4	NUM
eurjchem-2275	179	26	phenyl	phenyl	NOUN
eurjchem-2275	179	27	(	(	PUNCT
eurjchem-2275	179	28	2	2	NUM
eurjchem-2275	179	29	,	,	PUNCT
eurjchem-2275	179	30	4	4	NUM
eurjchem-2275	179	31	)	)	PUNCT
eurjchem-2275	179	32	135.5	135.5	NUM
eurjchem-2275	179	33	129.4	129.4	NUM
eurjchem-2275	179	34	phenyl	phenyl	NOUN
eurjchem-2275	179	35	bonded	bond	VERB
eurjchem-2275	179	36	to	to	ADP
eurjchem-2275	179	37	ketone	ketone	NOUN
eurjchem-2275	179	38	(	(	PUNCT
eurjchem-2275	179	39	9	9	NUM
eurjchem-2275	179	40	)	)	PUNCT
eurjchem-2275	179	41	142.4	142.4	NUM
eurjchem-2275	179	42	131.2	131.2	NUM
eurjchem-2275	179	43	phenyl	phenyl	NOUN
eurjchem-2275	179	44	(	(	PUNCT
eurjchem-2275	179	45	1	1	NUM
eurjchem-2275	179	46	,	,	PUNCT
eurjchem-2275	179	47	6	6	NUM
eurjchem-2275	179	48	)	)	PUNCT
eurjchem-2275	179	49	140.0	140.0	NUM
eurjchem-2275	179	50	132.0	132.0	NUM
eurjchem-2275	179	51	phenyl	phenyl	NOUN
eurjchem-2275	179	52	(	(	PUNCT
eurjchem-2275	179	53	11	11	NUM
eurjchem-2275	179	54	-	-	SYM
eurjchem-2275	179	55	12	12	NUM
eurjchem-2275	179	56	)	)	PUNCT
eurjchem-2275	179	57	140.0	140.0	NUM
eurjchem-2275	179	58	132.6	132.6	NUM
eurjchem-2275	179	59	phenyl	phenyl	NOUN
eurjchem-2275	179	60	bonded	bond	VERB
eurjchem-2275	179	61	to	to	ADP
eurjchem-2275	179	62	ketone	ketone	NOUN
eurjchem-2275	179	63	(	(	PUNCT
eurjchem-2275	179	64	3	3	NUM
eurjchem-2275	179	65	)	)	PUNCT
eurjchem-2275	179	66	143.5	143.5	NUM
eurjchem-2275	179	67	137.8	137.8	NUM
eurjchem-2275	179	68	phenyl	phenyl	NOUN
eurjchem-2275	179	69	bonded	bond	VERB
eurjchem-2275	179	70	to	to	AUX
eurjchem-2275	179	71	cl	cl	VERB
eurjchem-2275	179	72	(	(	PUNCT
eurjchem-2275	179	73	5	5	NUM
eurjchem-2275	179	74	)	)	PUNCT
eurjchem-2275	179	75	156.1	156.1	NUM
eurjchem-2275	179	76	138.4	138.4	NUM
eurjchem-2275	179	77	phenyl	phenyl	NOUN
eurjchem-2275	179	78	bonded	bond	VERB
eurjchem-2275	179	79	to	to	ADP
eurjchem-2275	179	80	o	o	PROPN
eurjchem-2275	179	81	(	(	PUNCT
eurjchem-2275	179	82	10	10	NUM
eurjchem-2275	179	83	)	)	PUNCT
eurjchem-2275	179	84	166.1	166.1	NUM
eurjchem-2275	179	85	160.8	160.8	NUM
eurjchem-2275	179	86	carboxyl	carboxyl	NOUN
eurjchem-2275	179	87	(	(	PUNCT
eurjchem-2275	179	88	20	20	NUM
eurjchem-2275	179	89	)	)	PUNCT
eurjchem-2275	179	90	185.3	185.3	NUM
eurjchem-2275	179	91	174.8	174.8	NUM
eurjchem-2275	179	92	ketone	ketone	NOUN
eurjchem-2275	179	93	(	(	PUNCT
eurjchem-2275	179	94	8)	8)	NUM
eurjchem-2275	179	95	204.1	204.1	NUM
eurjchem-2275	179	96	194.0	194.0	NUM
eurjchem-2275	179	97	all	all	DET
eurjchem-2275	179	98	conformers	conformer	NOUN
eurjchem-2275	179	99	show	show	VERB
eurjchem-2275	179	100	the	the	DET
eurjchem-2275	179	101	amide	amide	NOUN
eurjchem-2275	179	102	group	group	NOUN
eurjchem-2275	179	103	as	as	ADP
eurjchem-2275	179	104	the	the	DET
eurjchem-2275	179	105	trans	trans	PROPN
eurjchem-2275	179	106	isomer	isomer	PROPN
eurjchem-2275	179	107	,	,	PUNCT
eurjchem-2275	179	108	which	which	PRON
eurjchem-2275	179	109	is	be	AUX
eurjchem-2275	179	110	understandable	understandable	ADJ
eurjchem-2275	179	111	since	since	SCONJ
eurjchem-2275	179	112	a	a	DET
eurjchem-2275	179	113	hypothetical	hypothetical	ADJ
eurjchem-2275	179	114	cis	cis	NOUN
eurjchem-2275	179	115	form	form	NOUN
eurjchem-2275	179	116	would	would	AUX
eurjchem-2275	179	117	force	force	VERB
eurjchem-2275	179	118	a	a	DET
eurjchem-2275	179	119	close	close	ADJ
eurjchem-2275	179	120	approach	approach	NOUN
eurjchem-2275	179	121	,	,	PUNCT
eurjchem-2275	179	122	less	less	ADJ
eurjchem-2275	179	123	than	than	ADP
eurjchem-2275	179	124	2	2	NUM
eurjchem-2275	179	125	å	å	NOUN
eurjchem-2275	179	126	,	,	PUNCT
eurjchem-2275	179	127	between	between	ADP
eurjchem-2275	179	128	a	a	DET
eurjchem-2275	179	129	proximalmethylene	proximalmethylene	NOUN
eurjchem-2275	179	130	h	h	NOUN
eurjchem-2275	179	131	atom	atom	NOUN
eurjchem-2275	179	132	and	and	CCONJ
eurjchem-2275	179	133	a	a	DET
eurjchem-2275	179	134	chlorophenyl	chlorophenyl	ADJ
eurjchem-2275	179	135	h	h	NOUN
eurjchem-2275	179	136	at	at	ADP
eurjchem-2275	179	137	an	an	DET
eurjchem-2275	179	138	energy	energy	NOUN
eurjchem-2275	179	139	cost	cost	NOUN
eurjchem-2275	179	140	of	of	ADP
eurjchem-2275	179	141	over	over	ADP
eurjchem-2275	179	142	30	30	NUM
eurjchem-2275	179	143	kj	kj	PROPN
eurjchem-2275	179	144	/	/	SYM
eurjchem-2275	179	145	mol	mol	PROPN
eurjchem-2275	179	146	.	.	PUNCT
eurjchem-2275	180	1	the	the	DET
eurjchem-2275	180	2	o	o	PROPN
eurjchem-2275	180	3	atom	atom	NOUN
eurjchem-2275	180	4	of	of	ADP
eurjchem-2275	180	5	the	the	DET
eurjchem-2275	180	6	amide	amide	NOUN
eurjchem-2275	180	7	linker	linker	NOUN
eurjchem-2275	180	8	in	in	ADP
eurjchem-2275	180	9	beza	beza	PROPN
eurjchem-2275	180	10	may	may	AUX
eurjchem-2275	180	11	seem	seem	VERB
eurjchem-2275	180	12	to	to	PART
eurjchem-2275	180	13	provide	provide	VERB
eurjchem-2275	180	14	an	an	DET
eurjchem-2275	180	15	option	option	NOUN
eurjchem-2275	180	16	to	to	PART
eurjchem-2275	180	17	form	form	VERB
eurjchem-2275	180	18	an	an	DET
eurjchem-2275	180	19	intramolecular	intramolecular	ADJ
eurjchem-2275	180	20	hydrogen	hydrogen	NOUN
eurjchem-2275	180	21	bond	bond	NOUN
eurjchem-2275	180	22	with	with	ADP
eurjchem-2275	180	23	the	the	DET
eurjchem-2275	180	24	carboxyl	carboxyl	NOUN
eurjchem-2275	180	25	h.	h.	NOUN
eurjchem-2275	180	26	although	although	SCONJ
eurjchem-2275	180	27	two	two	NUM
eurjchem-2275	180	28	such	such	ADJ
eurjchem-2275	180	29	conformers	conformer	NOUN
eurjchem-2275	180	30	with	with	ADP
eurjchem-2275	180	31	bent	bent	ADJ
eurjchem-2275	180	32	shapes	shape	NOUN
eurjchem-2275	180	33	were	be	AUX
eurjchem-2275	180	34	found	find	VERB
eurjchem-2275	180	35	,	,	PUNCT
eurjchem-2275	180	36	they	they	PRON
eurjchem-2275	180	37	have	have	VERB
eurjchem-2275	180	38	negligible	negligible	ADJ
eurjchem-2275	180	39	populations	population	NOUN
eurjchem-2275	180	40	due	due	ADP
eurjchem-2275	180	41	to	to	ADP
eurjchem-2275	180	42	s	s	NOUN
eurjchem-2275	180	43	°	°	NUM
eurjchem-2275	180	44	about	about	ADV
eurjchem-2275	180	45	60	60	NUM
eurjchem-2275	180	46	j	j	NOUN
eurjchem-2275	180	47	/	/	SYM
eurjchem-2275	180	48	mol.k	mol.k	NOUN
eurjchem-2275	180	49	less	less	ADJ
eurjchem-2275	180	50	than	than	ADP
eurjchem-2275	180	51	those	those	PRON
eurjchem-2275	180	52	of	of	ADP
eurjchem-2275	180	53	the	the	DET
eurjchem-2275	180	54	conformers	conformer	NOUN
eurjchem-2275	180	55	a	a	X
eurjchem-2275	180	56	-	-	PUNCT
eurjchem-2275	180	57	e	e	NOUN
eurjchem-2275	180	58	considered	consider	VERB
eurjchem-2275	180	59	here	here	ADV
eurjchem-2275	180	60	without	without	ADP
eurjchem-2275	180	61	this	this	DET
eurjchem-2275	180	62	bond	bond	NOUN
eurjchem-2275	180	63	.	.	PUNCT
eurjchem-2275	181	1	this	this	PRON
eurjchem-2275	181	2	decreased	decrease	VERB
eurjchem-2275	181	3	s	s	PROPN
eurjchem-2275	181	4	°	°	PROPN
eurjchem-2275	181	5	makes	make	VERB
eurjchem-2275	181	6	g	g	NOUN
eurjchem-2275	181	7	°	°	PRON
eurjchem-2275	181	8	less	less	ADV
eurjchem-2275	181	9	negative	negative	ADJ
eurjchem-2275	181	10	by	by	ADP
eurjchem-2275	181	11	nearly	nearly	ADV
eurjchem-2275	181	12	20	20	NUM
eurjchem-2275	181	13	kj	kj	PROPN
eurjchem-2275	181	14	/	/	SYM
eurjchem-2275	181	15	mol	mol	PROPN
eurjchem-2275	181	16	.	.	PUNCT
eurjchem-2275	182	1	beza	beza	PROPN
eurjchem-2275	182	2	,	,	PUNCT
eurjchem-2275	182	3	with	with	ADP
eurjchem-2275	182	4	longer	long	ADJ
eurjchem-2275	182	5	flexible	flexible	ADJ
eurjchem-2275	182	6	linkers	linker	NOUN
eurjchem-2275	182	7	and	and	CCONJ
eurjchem-2275	182	8	more	more	ADV
eurjchem-2275	182	9	hindered	hinder	VERB
eurjchem-2275	182	10	rotations	rotation	NOUN
eurjchem-2275	182	11	than	than	ADP
eurjchem-2275	182	12	clo	clo	PROPN
eurjchem-2275	182	13	,	,	PUNCT
eurjchem-2275	182	14	conquers	conquer	VERB
eurjchem-2275	182	15	more	more	ADV
eurjchem-2275	182	16	theoretically	theoretically	ADV
eurjchem-2275	182	17	observed	observe	VERB
eurjchem-2275	182	18	conformers	conformer	NOUN
eurjchem-2275	182	19	.	.	PUNCT
eurjchem-2275	183	1	among	among	ADP
eurjchem-2275	183	2	them	they	PRON
eurjchem-2275	183	3	,	,	PUNCT
eurjchem-2275	183	4	the	the	DET
eurjchem-2275	183	5	presence	presence	NOUN
eurjchem-2275	183	6	of	of	ADP
eurjchem-2275	183	7	ch2	ch2	NOUN
eurjchem-2275	183	8	groups	group	NOUN
eurjchem-2275	183	9	tends	tend	VERB
eurjchem-2275	183	10	to	to	PART
eurjchem-2275	183	11	achieve	achieve	VERB
eurjchem-2275	183	12	more	more	ADV
eurjchem-2275	183	13	highly	highly	ADV
eurjchem-2275	183	14	stable	stable	ADJ
eurjchem-2275	183	15	conformers	conformer	NOUN
eurjchem-2275	183	16	than	than	ADP
eurjchem-2275	183	17	clo	clo	PROPN
eurjchem-2275	183	18	,	,	PUNCT
eurjchem-2275	183	19	with	with	ADP
eurjchem-2275	183	20	no	no	DET
eurjchem-2275	183	21	methylene	methylene	NOUN
eurjchem-2275	183	22	moieties	moiety	NOUN
eurjchem-2275	183	23	.	.	PUNCT
eurjchem-2275	184	1	in	in	ADP
eurjchem-2275	184	2	addition	addition	NOUN
eurjchem-2275	184	3	,	,	PUNCT
eurjchem-2275	184	4	beza	beza	PROPN
eurjchem-2275	184	5	shows	show	VERB
eurjchem-2275	184	6	greater	great	ADJ
eurjchem-2275	184	7	variations	variation	NOUN
eurjchem-2275	184	8	within	within	ADP
eurjchem-2275	184	9	its	its	PRON
eurjchem-2275	184	10	low	low	ADJ
eurjchem-2275	184	11	-	-	PUNCT
eurjchem-2275	184	12	g	g	NOUN
eurjchem-2275	184	13	°	°	ADJ
eurjchem-2275	184	14	conformers	conformer	NOUN
eurjchem-2275	184	15	.	.	PUNCT
eurjchem-2275	185	1	fen	fen	PROPN
eurjchem-2275	185	2	is	be	AUX
eurjchem-2275	185	3	characterized	characterize	VERB
eurjchem-2275	185	4	by	by	ADP
eurjchem-2275	185	5	its	its	PRON
eurjchem-2275	185	6	chlorobenzophenone	chlorobenzophenone	NOUN
eurjchem-2275	185	7	group	group	NOUN
eurjchem-2275	185	8	bonded	bond	VERB
eurjchem-2275	185	9	to	to	ADP
eurjchem-2275	185	10	the	the	DET
eurjchem-2275	185	11	ether	ether	NOUN
eurjchem-2275	185	12	o.	o.	VERB
eurjchem-2275	185	13	the	the	DET
eurjchem-2275	185	14	main	main	ADJ
eurjchem-2275	185	15	geometric	geometric	ADJ
eurjchem-2275	185	16	difference	difference	NOUN
eurjchem-2275	185	17	between	between	ADP
eurjchem-2275	185	18	the	the	DET
eurjchem-2275	185	19	two	two	NUM
eurjchem-2275	185	20	most	most	ADV
eurjchem-2275	185	21	populous	populous	ADJ
eurjchem-2275	185	22	and	and	CCONJ
eurjchem-2275	185	23	h	h	NOUN
eurjchem-2275	185	24	-	-	PUNCT
eurjchem-2275	185	25	bonded	bond	VERB
eurjchem-2275	185	26	conformers	conformer	NOUN
eurjchem-2275	185	27	a	a	PRON
eurjchem-2275	185	28	and	and	CCONJ
eurjchem-2275	185	29	b	b	NOUN
eurjchem-2275	185	30	is	be	AUX
eurjchem-2275	185	31	the	the	DET
eurjchem-2275	185	32	sign	sign	NOUN
eurjchem-2275	185	33	of	of	ADP
eurjchem-2275	185	34	the	the	DET
eurjchem-2275	185	35	approximately	approximately	ADV
eurjchem-2275	185	36	±90	±90	NOUN
eurjchem-2275	185	37	°	°	ADP
eurjchem-2275	185	38	respective	respective	ADJ
eurjchem-2275	185	39	torsion	torsion	NOUN
eurjchem-2275	185	40	angles	angle	NOUN
eurjchem-2275	185	41	about	about	ADP
eurjchem-2275	185	42	the	the	DET
eurjchem-2275	185	43	bond	bond	NOUN
eurjchem-2275	185	44	between	between	ADP
eurjchem-2275	185	45	the	the	DET
eurjchem-2275	185	46	ether	ether	NOUN
eurjchem-2275	185	47	o	o	NOUN
eurjchem-2275	185	48	and	and	CCONJ
eurjchem-2275	185	49	the	the	DET
eurjchem-2275	185	50	aromatic	aromatic	ADJ
eurjchem-2275	185	51	ring	ring	NOUN
eurjchem-2275	185	52	.	.	PUNCT
eurjchem-2275	186	1	the	the	DET
eurjchem-2275	186	2	more	more	ADV
eurjchem-2275	186	3	favorable	favorable	ADJ
eurjchem-2275	186	4	g	g	ADP
eurjchem-2275	186	5	°	°	NUM
eurjchem-2275	186	6	of	of	ADP
eurjchem-2275	186	7	a	a	PRON
eurjchem-2275	186	8	and	and	CCONJ
eurjchem-2275	186	9	b	b	NOUN
eurjchem-2275	186	10	are	be	AUX
eurjchem-2275	186	11	due	due	ADJ
eurjchem-2275	186	12	to	to	ADP
eurjchem-2275	186	13	their	their	PRON
eurjchem-2275	186	14	high	high	ADJ
eurjchem-2275	186	15	s	s	PROPN
eurjchem-2275	186	16	°	°	NOUN
eurjchem-2275	186	17	rather	rather	ADV
eurjchem-2275	186	18	than	than	ADP
eurjchem-2275	186	19	their	their	PRON
eurjchem-2275	186	20	e	e	NOUN
eurjchem-2275	186	21	,	,	PUNCT
eurjchem-2275	186	22	which	which	PRON
eurjchem-2275	186	23	are	be	AUX
eurjchem-2275	186	24	less	less	ADV
eurjchem-2275	186	25	favorable	favorable	ADJ
eurjchem-2275	186	26	than	than	ADP
eurjchem-2275	186	27	those	those	PRON
eurjchem-2275	186	28	of	of	ADP
eurjchem-2275	186	29	c	c	PROPN
eurjchem-2275	186	30	-	-	PUNCT
eurjchem-2275	186	31	h.	h.	PROPN
eurjchem-2275	186	32	fen	fen	PROPN
eurjchem-2275	186	33	has	have	VERB
eurjchem-2275	186	34	the	the	DET
eurjchem-2275	186	35	largest	large	ADJ
eurjchem-2275	186	36	number	number	NOUN
eurjchem-2275	186	37	of	of	ADP
eurjchem-2275	186	38	conformers	conformer	NOUN
eurjchem-2275	186	39	with	with	ADP
eurjchem-2275	186	40	δg	δg	NOUN
eurjchem-2275	186	41	°	°	NOUN
eurjchem-2275	186	42	<	<	X
eurjchem-2275	186	43	4	4	NUM
eurjchem-2275	186	44	kj	kj	PROPN
eurjchem-2275	186	45	/	/	SYM
eurjchem-2275	186	46	mol	mol	PROPN
eurjchem-2275	186	47	,	,	PUNCT
eurjchem-2275	186	48	which	which	PRON
eurjchem-2275	186	49	are	be	AUX
eurjchem-2275	186	50	thermochemically	thermochemically	ADV
eurjchem-2275	186	51	accessible	accessible	ADJ
eurjchem-2275	186	52	with	with	ADP
eurjchem-2275	186	53	large	large	ADJ
eurjchem-2275	186	54	boltzmann	boltzmann	NOUN
eurjchem-2275	186	55	factors	factor	NOUN
eurjchem-2275	186	56	.	.	PUNCT
eurjchem-2275	187	1	gem	gem	NOUN
eurjchem-2275	187	2	,	,	PUNCT
eurjchem-2275	187	3	like	like	ADP
eurjchem-2275	187	4	beza	beza	PROPN
eurjchem-2275	187	5	,	,	PUNCT
eurjchem-2275	187	6	has	have	VERB
eurjchem-2275	187	7	a	a	DET
eurjchem-2275	187	8	long	long	ADJ
eurjchem-2275	187	9	flexible	flexible	ADJ
eurjchem-2275	187	10	linker	linker	NOUN
eurjchem-2275	187	11	and	and	CCONJ
eurjchem-2275	187	12	several	several	ADJ
eurjchem-2275	187	13	conformers	conformer	NOUN
eurjchem-2275	187	14	with	with	ADP
eurjchem-2275	187	15	significant	significant	ADJ
eurjchem-2275	187	16	populations	population	NOUN
eurjchem-2275	187	17	.	.	PUNCT
eurjchem-2275	188	1	without	without	ADP
eurjchem-2275	188	2	intramolecular	intramolecular	ADJ
eurjchem-2275	188	3	hydrogen	hydrogen	NOUN
eurjchem-2275	188	4	bonding	bonding	NOUN
eurjchem-2275	188	5	,	,	PUNCT
eurjchem-2275	188	6	each	each	PRON
eurjchem-2275	188	7	of	of	ADP
eurjchem-2275	188	8	the	the	DET
eurjchem-2275	188	9	gem	gem	NOUN
eurjchem-2275	188	10	conformers	conformer	NOUN
eurjchem-2275	188	11	shows	show	VERB
eurjchem-2275	188	12	a	a	DET
eurjchem-2275	188	13	syn	syn	PROPN
eurjchem-2275	188	14	carboxyl	carboxyl	NOUN
eurjchem-2275	188	15	group	group	NOUN
eurjchem-2275	188	16	.	.	PUNCT
eurjchem-2275	189	1	the	the	DET
eurjchem-2275	189	2	dominant	dominant	ADJ
eurjchem-2275	189	3	conformer	conformer	PROPN
eurjchem-2275	189	4	a	a	DET
eurjchem-2275	189	5	results	result	NOUN
eurjchem-2275	189	6	from	from	ADP
eurjchem-2275	189	7	optimizing	optimize	VERB
eurjchem-2275	189	8	the	the	DET
eurjchem-2275	189	9	reported	report	VERB
eurjchem-2275	189	10	crystal	crystal	NOUN
eurjchem-2275	189	11	structure	structure	NOUN
eurjchem-2275	189	12	[	[	X
eurjchem-2275	189	13	13	13	NUM
eurjchem-2275	189	14	]	]	PUNCT
eurjchem-2275	189	15	.	.	PUNCT
eurjchem-2275	190	1	all	all	DET
eurjchem-2275	190	2	its	its	PRON
eurjchem-2275	190	3	skeletal	skeletal	ADJ
eurjchem-2275	190	4	atoms	atom	NOUN
eurjchem-2275	190	5	are	be	AUX
eurjchem-2275	190	6	coplanar	coplanar	ADJ
eurjchem-2275	190	7	except	except	SCONJ
eurjchem-2275	190	8	for	for	ADP
eurjchem-2275	190	9	the	the	DET
eurjchem-2275	190	10	carboxyl	carboxyl	NOUN
eurjchem-2275	190	11	group	group	NOUN
eurjchem-2275	190	12	and	and	CCONJ
eurjchem-2275	190	13	one	one	NUM
eurjchem-2275	190	14	of	of	ADP
eurjchem-2275	190	15	its	its	PRON
eurjchem-2275	190	16	opposed	opposed	ADJ
eurjchem-2275	190	17	methyl	methyl	NOUN
eurjchem-2275	190	18	c	c	NOUN
eurjchem-2275	190	19	atoms	atom	NOUN
eurjchem-2275	190	20	,	,	PUNCT
eurjchem-2275	190	21	which	which	PRON
eurjchem-2275	190	22	are	be	AUX
eurjchem-2275	190	23	in	in	ADP
eurjchem-2275	190	24	another	another	DET
eurjchem-2275	190	25	,	,	PUNCT
eurjchem-2275	190	26	perpendicular	perpendicular	ADJ
eurjchem-2275	190	27	plane	plane	NOUN
eurjchem-2275	190	28	.	.	PUNCT
eurjchem-2275	191	1	for	for	ADP
eurjchem-2275	191	2	the	the	DET
eurjchem-2275	191	3	seven	seven	NUM
eurjchem-2275	191	4	conformers	conformer	NOUN
eurjchem-2275	191	5	,	,	PUNCT
eurjchem-2275	191	6	the	the	DET
eurjchem-2275	191	7	ordering	ordering	NOUN
eurjchem-2275	191	8	by	by	ADP
eurjchem-2275	191	9	g	g	PROPN
eurjchem-2275	191	10	°	°	PROPN
eurjchem-2275	191	11	is	be	AUX
eurjchem-2275	191	12	the	the	DET
eurjchem-2275	191	13	same	same	ADJ
eurjchem-2275	191	14	as	as	ADP
eurjchem-2275	191	15	the	the	DET
eurjchem-2275	191	16	ordering	ordering	NOUN
eurjchem-2275	191	17	by	by	ADP
eurjchem-2275	191	18	e	e	NOUN
eurjchem-2275	191	19	since	since	SCONJ
eurjchem-2275	191	20	each	each	PRON
eurjchem-2275	191	21	has	have	VERB
eurjchem-2275	191	22	essentially	essentially	ADV
eurjchem-2275	191	23	the	the	DET
eurjchem-2275	191	24	same	same	ADJ
eurjchem-2275	191	25	s	s	NOUN
eurjchem-2275	191	26	°	°	NOUN
eurjchem-2275	191	27	=	=	SYM
eurjchem-2275	191	28	634	634	NUM
eurjchem-2275	191	29	±	±	NUM
eurjchem-2275	191	30	1	1	NUM
eurjchem-2275	191	31	j	j	PROPN
eurjchem-2275	191	32	/	/	SYM
eurjchem-2275	191	33	mol.k	mol.k	NOUN
eurjchem-2275	191	34	.	.	PUNCT
eurjchem-2275	192	1	this	this	PRON
eurjchem-2275	192	2	is	be	AUX
eurjchem-2275	192	3	the	the	DET
eurjchem-2275	192	4	narrowest	narrow	ADJ
eurjchem-2275	192	5	conformer	conformer	NOUN
eurjchem-2275	192	6	-	-	PUNCT
eurjchem-2275	192	7	entropy	entropy	NOUN
eurjchem-2275	192	8	range	range	NOUN
eurjchem-2275	192	9	of	of	ADP
eurjchem-2275	192	10	all	all	DET
eurjchem-2275	192	11	the	the	DET
eurjchem-2275	192	12	fibric	fibric	ADJ
eurjchem-2275	192	13	acids	acid	NOUN
eurjchem-2275	192	14	.	.	PUNCT
eurjchem-2275	193	1	miller	miller	PROPN
eurjchem-2275	193	2	et	et	PROPN
eurjchem-2275	193	3	al	al	PROPN
eurjchem-2275	193	4	.	.	PUNCT
eurjchem-2275	193	5	/	/	SYM
eurjchem-2275	193	6	european	european	PROPN
eurjchem-2275	193	7	journal	journal	PROPN
eurjchem-2275	193	8	of	of	ADP
eurjchem-2275	193	9	chemistry	chemistry	NOUN
eurjchem-2275	193	10	13	13	NUM
eurjchem-2275	193	11	(	(	PUNCT
eurjchem-2275	193	12	2	2	NUM
eurjchem-2275	193	13	)	)	PUNCT
eurjchem-2275	193	14	(	(	PUNCT
eurjchem-2275	193	15	2022	2022	NUM
eurjchem-2275	193	16	)	)	PUNCT
eurjchem-2275	193	17	186	186	NUM
eurjchem-2275	193	18	-	-	SYM
eurjchem-2275	193	19	195	195	NUM
eurjchem-2275	193	20	193	193	NUM
eurjchem-2275	193	21	2022	2022	NUM
eurjchem-2275	193	22	–	–	PUNCT
eurjchem-2275	193	23	european	european	ADJ
eurjchem-2275	193	24	journal	journal	NOUN
eurjchem-2275	193	25	of	of	ADP
eurjchem-2275	193	26	chemistry	chemistry	NOUN
eurjchem-2275	193	27	–	–	PUNCT
eurjchem-2275	193	28	cc	cc	NOUN
eurjchem-2275	193	29	by	by	ADP
eurjchem-2275	193	30	nc	nc	PROPN
eurjchem-2275	193	31	–	–	PUNCT
eurjchem-2275	193	32	doi	doi	NOUN
eurjchem-2275	193	33	:	:	PUNCT
eurjchem-2275	193	34	10.5155	10.5155	NUM
eurjchem-2275	193	35	/	/	SYM
eurjchem-2275	193	36	eurjchem.13.2.186	eurjchem.13.2.186	PROPN
eurjchem-2275	193	37	-	-	SYM
eurjchem-2275	193	38	195.2275	195.2275	NUM
eurjchem-2275	193	39	table	table	NOUN
eurjchem-2275	193	40	10	10	NUM
eurjchem-2275	193	41	.	.	PUNCT
eurjchem-2275	194	1	theoretical	theoretical	ADJ
eurjchem-2275	194	2	(	(	PUNCT
eurjchem-2275	194	3	b3lyp/6	b3lyp/6	NOUN
eurjchem-2275	194	4	-	-	NOUN
eurjchem-2275	194	5	311+g	311+g	ADJ
eurjchem-2275	194	6	*	*	NOUN
eurjchem-2275	194	7	*	*	PUNCT
eurjchem-2275	194	8	)	)	PUNCT
eurjchem-2275	194	9	and	and	CCONJ
eurjchem-2275	194	10	experimental	experimental	ADJ
eurjchem-2275	194	11	1h	1h	NUM
eurjchem-2275	194	12	and	and	CCONJ
eurjchem-2275	194	13	13c	13c	NOUN
eurjchem-2275	194	14	nmr	nmr	NOUN
eurjchem-2275	194	15	chemical	chemical	NOUN
eurjchem-2275	194	16	shifts	shift	NOUN
eurjchem-2275	194	17	for	for	ADP
eurjchem-2275	194	18	gemfibrozil	gemfibrozil	NOUN
eurjchem-2275	194	19	in	in	ADP
eurjchem-2275	194	20	acetone	acetone	NOUN
eurjchem-2275	194	21	.	.	PUNCT
eurjchem-2275	195	1	hydrogen(s	hydrogen(s	NOUN
eurjchem-2275	195	2	)	)	PUNCT
eurjchem-2275	195	3	(	(	PUNCT
eurjchem-2275	195	4	atom	atom	NOUN
eurjchem-2275	195	5	number	number	NOUN
eurjchem-2275	195	6	)	)	PUNCT
eurjchem-2275	195	7	δtheor	δtheor	NOUN
eurjchem-2275	195	8	.	.	PUNCT
eurjchem-2275	196	1	(	(	PUNCT
eurjchem-2275	196	2	ppm	ppm	NOUN
eurjchem-2275	196	3	)	)	PUNCT
eurjchem-2275	196	4	δexp	δexp	NOUN
eurjchem-2275	196	5	.	.	PUNCT
eurjchem-2275	197	1	(	(	PUNCT
eurjchem-2275	197	2	ppm	ppm	NOUN
eurjchem-2275	197	3	)	)	PUNCT
eurjchem-2275	197	4	methyl	methyl	NOUN
eurjchem-2275	197	5	(	(	PUNCT
eurjchem-2275	197	6	29	29	NUM
eurjchem-2275	197	7	-	-	SYM
eurjchem-2275	197	8	34	34	NUM
eurjchem-2275	197	9	)	)	PUNCT
eurjchem-2275	197	10	1.28	1.28	NUM
eurjchem-2275	197	11	1.22	1.22	NUM
eurjchem-2275	197	12	ch2	ch2	NOUN
eurjchem-2275	197	13	(	(	PUNCT
eurjchem-2275	197	14	35	35	NUM
eurjchem-2275	197	15	-	-	SYM
eurjchem-2275	197	16	38	38	NUM
eurjchem-2275	197	17	)	)	PUNCT
eurjchem-2275	197	18	1.74	1.74	NUM
eurjchem-2275	197	19	1.74	1.74	NUM
eurjchem-2275	197	20	methyl	methyl	NOUN
eurjchem-2275	197	21	(	(	PUNCT
eurjchem-2275	197	22	22	22	NUM
eurjchem-2275	197	23	-	-	SYM
eurjchem-2275	197	24	24	24	NUM
eurjchem-2275	197	25	)	)	PUNCT
eurjchem-2275	197	26	2.24	2.24	NUM
eurjchem-2275	197	27	2.91	2.91	NUM
eurjchem-2275	197	28	methyl	methyl	NOUN
eurjchem-2275	197	29	(	(	PUNCT
eurjchem-2275	197	30	25	25	NUM
eurjchem-2275	197	31	-	-	SYM
eurjchem-2275	197	32	27	27	NUM
eurjchem-2275	197	33	)	)	PUNCT
eurjchem-2275	197	34	2.38	2.38	NUM
eurjchem-2275	197	35	2.97	2.97	NUM
eurjchem-2275	197	36	ch2	ch2	NOUN
eurjchem-2275	197	37	(	(	PUNCT
eurjchem-2275	197	38	39	39	NUM
eurjchem-2275	197	39	,	,	PUNCT
eurjchem-2275	197	40	40	40	NUM
eurjchem-2275	197	41	)	)	PUNCT
eurjchem-2275	197	42	3.86	3.86	NUM
eurjchem-2275	197	43	3.88	3.88	NUM
eurjchem-2275	197	44	phenyl	phenyl	NOUN
eurjchem-2275	197	45	(	(	PUNCT
eurjchem-2275	197	46	21	21	NUM
eurjchem-2275	197	47	)	)	PUNCT
eurjchem-2275	197	48	6.80	6.80	NUM
eurjchem-2275	197	49	6.64	6.64	NUM
eurjchem-2275	197	50	phenyl	phenyl	NOUN
eurjchem-2275	197	51	(	(	PUNCT
eurjchem-2275	197	52	20	20	NUM
eurjchem-2275	197	53	)	)	PUNCT
eurjchem-2275	197	54	6.86	6.86	NUM
eurjchem-2275	197	55	6.60	6.60	NUM
eurjchem-2275	197	56	phenyl	phenyl	NOUN
eurjchem-2275	197	57	(	(	PUNCT
eurjchem-2275	197	58	19	19	NUM
eurjchem-2275	197	59	)	)	PUNCT
eurjchem-2275	197	60	7.26	7.26	NUM
eurjchem-2275	197	61	6.94	6.94	NUM
eurjchem-2275	197	62	carbon(s	carbon(s	NOUN
eurjchem-2275	197	63	)	)	PUNCT
eurjchem-2275	197	64	(	(	PUNCT
eurjchem-2275	197	65	atom	atom	NOUN
eurjchem-2275	197	66	number	number	NOUN
eurjchem-2275	197	67	)	)	PUNCT
eurjchem-2275	197	68	δtheor	δtheor	NOUN
eurjchem-2275	197	69	.	.	PUNCT
eurjchem-2275	198	1	(	(	PUNCT
eurjchem-2275	198	2	ppm	ppm	NOUN
eurjchem-2275	198	3	)	)	PUNCT
eurjchem-2275	198	4	δexp	δexp	NOUN
eurjchem-2275	198	5	.	.	PUNCT
eurjchem-2275	199	1	(	(	PUNCT
eurjchem-2275	199	2	ppm	ppm	NOUN
eurjchem-2275	199	3	)	)	PUNCT
eurjchem-2275	199	4	phenyl	phenyl	NOUN
eurjchem-2275	199	5	methyl	methyl	NOUN
eurjchem-2275	199	6	(	(	PUNCT
eurjchem-2275	199	7	17	17	NUM
eurjchem-2275	199	8	)	)	PUNCT
eurjchem-2275	199	9	19.7	19.7	NUM
eurjchem-2275	199	10	16.2	16.2	NUM
eurjchem-2275	199	11	phenyl	phenyl	NOUN
eurjchem-2275	199	12	methyl	methyl	NOUN
eurjchem-2275	199	13	(	(	PUNCT
eurjchem-2275	199	14	18	18	NUM
eurjchem-2275	199	15	)	)	PUNCT
eurjchem-2275	199	16	23.4	23.4	NUM
eurjchem-2275	199	17	21.7	21.7	NUM
eurjchem-2275	199	18	ch2	ch2	NOUN
eurjchem-2275	199	19	(	(	PUNCT
eurjchem-2275	199	20	9	9	NUM
eurjchem-2275	199	21	)	)	PUNCT
eurjchem-2275	199	22	30.8	30.8	NUM
eurjchem-2275	199	23	25.6	25.6	NUM
eurjchem-2275	199	24	methyl	methyl	NOUN
eurjchem-2275	199	25	(	(	PUNCT
eurjchem-2275	199	26	5	5	NUM
eurjchem-2275	199	27	,	,	PUNCT
eurjchem-2275	199	28	7	7	NUM
eurjchem-2275	199	29	)	)	PUNCT
eurjchem-2275	199	30	40.2	40.2	NUM
eurjchem-2275	199	31	26.1	26.1	NUM
eurjchem-2275	199	32	ch2	ch2	NOUN
eurjchem-2275	199	33	(	(	PUNCT
eurjchem-2275	199	34	8)	8)	NUM
eurjchem-2275	199	35	41.3	41.3	NUM
eurjchem-2275	199	36	37.8	37.8	NUM
eurjchem-2275	199	37	quaternary	quaternary	NOUN
eurjchem-2275	199	38	(	(	PUNCT
eurjchem-2275	199	39	3	3	NUM
eurjchem-2275	199	40	)	)	PUNCT
eurjchem-2275	199	41	50.0	50.0	NUM
eurjchem-2275	199	42	42.5	42.5	NUM
eurjchem-2275	199	43	ch2	ch2	NOUN
eurjchem-2275	199	44	(	(	PUNCT
eurjchem-2275	199	45	10	10	NUM
eurjchem-2275	199	46	)	)	PUNCT
eurjchem-2275	199	47	72.2	72.2	NUM
eurjchem-2275	199	48	68.7	68.7	NUM
eurjchem-2275	199	49	phenyl	phenyl	NOUN
eurjchem-2275	199	50	(	(	PUNCT
eurjchem-2275	199	51	16	16	NUM
eurjchem-2275	199	52	)	)	PUNCT
eurjchem-2275	199	53	115.0	115.0	NUM
eurjchem-2275	199	54	114.8	114.8	NUM
eurjchem-2275	199	55	phenyl	phenyl	NOUN
eurjchem-2275	199	56	(	(	PUNCT
eurjchem-2275	199	57	14	14	NUM
eurjchem-2275	199	58	)	)	PUNCT
eurjchem-2275	199	59	126.1	126.1	NUM
eurjchem-2275	199	60	121.6	121.6	NUM
eurjchem-2275	199	61	phenyl	phenyl	NOUN
eurjchem-2275	199	62	(	(	PUNCT
eurjchem-2275	199	63	12	12	NUM
eurjchem-2275	199	64	)	)	PUNCT
eurjchem-2275	199	65	131.9	131.9	NUM
eurjchem-2275	199	66	124.0	124.0	NUM
eurjchem-2275	199	67	phenyl	phenyl	NOUN
eurjchem-2275	199	68	(	(	PUNCT
eurjchem-2275	199	69	13	13	NUM
eurjchem-2275	199	70	)	)	PUNCT
eurjchem-2275	199	71	136.4	136.4	NUM
eurjchem-2275	199	72	131.1	131.1	NUM
eurjchem-2275	199	73	phenyl	phenyl	NOUN
eurjchem-2275	199	74	(	(	PUNCT
eurjchem-2275	199	75	15	15	NUM
eurjchem-2275	199	76	)	)	PUNCT
eurjchem-2275	199	77	146.4	146.4	NUM
eurjchem-2275	199	78	137.1	137.1	NUM
eurjchem-2275	199	79	phenyl	phenyl	NOUN
eurjchem-2275	199	80	(	(	PUNCT
eurjchem-2275	199	81	11	11	NUM
eurjchem-2275	199	82	)	)	PUNCT
eurjchem-2275	199	83	166.2	166.2	NUM
eurjchem-2275	199	84	158.0	158.0	NUM
eurjchem-2275	199	85	carboxyl	carboxyl	NOUN
eurjchem-2275	199	86	(	(	PUNCT
eurjchem-2275	199	87	1	1	NUM
eurjchem-2275	199	88	)	)	PUNCT
eurjchem-2275	199	89	189.8	189.8	NUM
eurjchem-2275	199	90	181.0	181.0	NUM
eurjchem-2275	199	91	intramolecular	intramolecular	ADJ
eurjchem-2275	199	92	interactions	interaction	NOUN
eurjchem-2275	199	93	play	play	VERB
eurjchem-2275	199	94	a	a	DET
eurjchem-2275	199	95	significant	significant	ADJ
eurjchem-2275	199	96	role	role	NOUN
eurjchem-2275	199	97	in	in	ADP
eurjchem-2275	199	98	some	some	DET
eurjchem-2275	199	99	conformations	conformation	NOUN
eurjchem-2275	199	100	in	in	ADP
eurjchem-2275	199	101	fibric	fibric	ADJ
eurjchem-2275	199	102	acids	acid	NOUN
eurjchem-2275	199	103	.	.	PUNCT
eurjchem-2275	200	1	compared	compare	VERB
eurjchem-2275	200	2	to	to	ADP
eurjchem-2275	200	3	the	the	DET
eurjchem-2275	200	4	three	three	NUM
eurjchem-2275	200	5	other	other	ADJ
eurjchem-2275	200	6	conformers	conformer	NOUN
eurjchem-2275	200	7	of	of	ADP
eurjchem-2275	200	8	clo	clo	PROPN
eurjchem-2275	200	9	,	,	PUNCT
eurjchem-2275	200	10	only	only	ADV
eurjchem-2275	200	11	a	a	PRON
eurjchem-2275	200	12	has	have	VERB
eurjchem-2275	200	13	the	the	DET
eurjchem-2275	200	14	suitable	suitable	ADJ
eurjchem-2275	200	15	angle	angle	NOUN
eurjchem-2275	200	16	and	and	CCONJ
eurjchem-2275	200	17	the	the	DET
eurjchem-2275	200	18	distance	distance	NOUN
eurjchem-2275	200	19	of	of	ADP
eurjchem-2275	200	20	1.837	1.837	NUM
eurjchem-2275	200	21	å	å	NOUN
eurjchem-2275	200	22	between	between	ADP
eurjchem-2275	200	23	the	the	DET
eurjchem-2275	200	24	cooh	cooh	NOUN
eurjchem-2275	200	25	proton	proton	NOUN
eurjchem-2275	200	26	and	and	CCONJ
eurjchem-2275	200	27	ether	ether	ADJ
eurjchem-2275	200	28	o	o	NOUN
eurjchem-2275	200	29	to	to	PART
eurjchem-2275	200	30	form	form	VERB
eurjchem-2275	200	31	an	an	DET
eurjchem-2275	200	32	intramolecular	intramolecular	ADJ
eurjchem-2275	200	33	hydrogen	hydrogen	NOUN
eurjchem-2275	200	34	bond	bond	NOUN
eurjchem-2275	200	35	with	with	ADP
eurjchem-2275	200	36	a	a	DET
eurjchem-2275	200	37	nearly	nearly	ADV
eurjchem-2275	200	38	planar	planar	ADJ
eurjchem-2275	200	39	fivemember	fivemember	PROPN
eurjchem-2275	200	40	ring	ring	NOUN
eurjchem-2275	200	41	.	.	PUNCT
eurjchem-2275	201	1	the	the	DET
eurjchem-2275	201	2	situation	situation	NOUN
eurjchem-2275	201	3	is	be	AUX
eurjchem-2275	201	4	similar	similar	ADJ
eurjchem-2275	201	5	with	with	ADP
eurjchem-2275	201	6	the	the	DET
eurjchem-2275	201	7	intramolecular	intramolecular	ADJ
eurjchem-2275	201	8	hydrogen	hydrogen	NOUN
eurjchem-2275	201	9	bonds	bond	NOUN
eurjchem-2275	201	10	seen	see	VERB
eurjchem-2275	201	11	in	in	ADP
eurjchem-2275	201	12	the	the	DET
eurjchem-2275	201	13	extended	extended	ADJ
eurjchem-2275	201	14	conformations	conformation	NOUN
eurjchem-2275	201	15	a	a	PRON
eurjchem-2275	201	16	and	and	CCONJ
eurjchem-2275	201	17	b	b	NOUN
eurjchem-2275	201	18	for	for	ADP
eurjchem-2275	201	19	beza	beza	PROPN
eurjchem-2275	201	20	and	and	CCONJ
eurjchem-2275	201	21	fen	fen	PROPN
eurjchem-2275	201	22	,	,	PUNCT
eurjchem-2275	201	23	but	but	CCONJ
eurjchem-2275	201	24	not	not	PART
eurjchem-2275	201	25	for	for	ADP
eurjchem-2275	201	26	gem	gem	NOUN
eurjchem-2275	201	27	where	where	SCONJ
eurjchem-2275	201	28	the	the	DET
eurjchem-2275	201	29	spacer	spacer	NOUN
eurjchem-2275	201	30	atoms	atom	NOUN
eurjchem-2275	201	31	separate	separate	VERB
eurjchem-2275	201	32	the	the	DET
eurjchem-2275	201	33	relevant	relevant	ADJ
eurjchem-2275	201	34	h	h	NOUN
eurjchem-2275	201	35	and	and	CCONJ
eurjchem-2275	201	36	o.	o.	NOUN
eurjchem-2275	201	37	3.2	3.2	NUM
eurjchem-2275	201	38	.	.	PUNCT
eurjchem-2275	202	1	theoretical	theoretical	ADJ
eurjchem-2275	202	2	and	and	CCONJ
eurjchem-2275	202	3	experimental	experimental	ADJ
eurjchem-2275	202	4	nmr	nmr	NOUN
eurjchem-2275	202	5	spectral	spectral	ADJ
eurjchem-2275	202	6	correlation	correlation	NOUN
eurjchem-2275	202	7	the	the	DET
eurjchem-2275	202	8	chemical	chemical	NOUN
eurjchem-2275	202	9	shift	shift	NOUN
eurjchem-2275	202	10	values	value	NOUN
eurjchem-2275	202	11	obtained	obtain	VERB
eurjchem-2275	202	12	by	by	ADP
eurjchem-2275	202	13	experimental	experimental	ADJ
eurjchem-2275	202	14	1h	1h	NOUN
eurjchem-2275	202	15	and	and	CCONJ
eurjchem-2275	202	16	13c	13c	NOUN
eurjchem-2275	202	17	nmr	nmr	NOUN
eurjchem-2275	202	18	spectra	spectra	NOUN
eurjchem-2275	202	19	of	of	ADP
eurjchem-2275	202	20	beza	beza	PROPN
eurjchem-2275	202	21	,	,	PUNCT
eurjchem-2275	202	22	clo	clo	PROPN
eurjchem-2275	202	23	,	,	PUNCT
eurjchem-2275	202	24	fen	fen	PROPN
eurjchem-2275	202	25	and	and	CCONJ
eurjchem-2275	202	26	gem	gem	NOUN
eurjchem-2275	202	27	in	in	ADP
eurjchem-2275	202	28	acetone	acetone	NOUN
eurjchem-2275	202	29	-	-	PUNCT
eurjchem-2275	202	30	d6	d6	NOUN
eurjchem-2275	202	31	are	be	AUX
eurjchem-2275	202	32	shown	show	VERB
eurjchem-2275	202	33	in	in	ADP
eurjchem-2275	202	34	tables	table	NOUN
eurjchem-2275	202	35	7	7	NUM
eurjchem-2275	202	36	-	-	SYM
eurjchem-2275	202	37	10	10	NUM
eurjchem-2275	202	38	along	along	ADP
eurjchem-2275	202	39	with	with	ADP
eurjchem-2275	202	40	those	those	PRON
eurjchem-2275	202	41	predicted	predict	VERB
eurjchem-2275	202	42	by	by	ADP
eurjchem-2275	202	43	theory	theory	NOUN
eurjchem-2275	202	44	.	.	PUNCT
eurjchem-2275	203	1	atom	atom	NOUN
eurjchem-2275	203	2	numbers	number	NOUN
eurjchem-2275	203	3	correspond	correspond	VERB
eurjchem-2275	203	4	to	to	ADP
eurjchem-2275	203	5	the	the	DET
eurjchem-2275	203	6	molecular	molecular	ADJ
eurjchem-2275	203	7	diagram	diagram	NOUN
eurjchem-2275	203	8	below	below	ADP
eurjchem-2275	203	9	each	each	DET
eurjchem-2275	203	10	table	table	NOUN
eurjchem-2275	203	11	.	.	PUNCT
eurjchem-2275	204	1	chemical	chemical	ADJ
eurjchem-2275	204	2	shifts	shift	NOUN
eurjchem-2275	204	3	of	of	ADP
eurjchem-2275	204	4	groups	group	NOUN
eurjchem-2275	204	5	that	that	PRON
eurjchem-2275	204	6	are	be	AUX
eurjchem-2275	204	7	part	part	NOUN
eurjchem-2275	204	8	of	of	ADP
eurjchem-2275	204	9	the	the	DET
eurjchem-2275	204	10	24	24	NUM
eurjchem-2275	204	11	-	-	PUNCT
eurjchem-2275	204	12	atom	atom	NOUN
eurjchem-2275	204	13	fragment	fragment	NOUN
eurjchem-2275	204	14	show	show	NOUN
eurjchem-2275	204	15	varying	vary	VERB
eurjchem-2275	204	16	consistency	consistency	NOUN
eurjchem-2275	204	17	.	.	PUNCT
eurjchem-2275	205	1	1h	1h	NUM
eurjchem-2275	205	2	nmr	nmr	NOUN
eurjchem-2275	205	3	of	of	ADP
eurjchem-2275	205	4	methyl	methyl	NOUN
eurjchem-2275	205	5	groups	group	NOUN
eurjchem-2275	205	6	revealed	reveal	VERB
eurjchem-2275	205	7	similar	similar	ADJ
eurjchem-2275	205	8	theoretical	theoretical	ADJ
eurjchem-2275	205	9	and	and	CCONJ
eurjchem-2275	205	10	experimental	experimental	ADJ
eurjchem-2275	205	11	values	value	NOUN
eurjchem-2275	205	12	in	in	ADP
eurjchem-2275	205	13	all	all	DET
eurjchem-2275	205	14	four	four	NUM
eurjchem-2275	205	15	fibric	fibric	ADJ
eurjchem-2275	205	16	acid	acid	NOUN
eurjchem-2275	205	17	standards	standard	NOUN
eurjchem-2275	205	18	.	.	PUNCT
eurjchem-2275	206	1	among	among	ADP
eurjchem-2275	206	2	these	these	DET
eurjchem-2275	206	3	standards	standard	NOUN
eurjchem-2275	206	4	,	,	PUNCT
eurjchem-2275	206	5	the	the	DET
eurjchem-2275	206	6	1h	1h	NUM
eurjchem-2275	206	7	nmr	nmr	NOUN
eurjchem-2275	206	8	chemical	chemical	NOUN
eurjchem-2275	206	9	shift	shift	NOUN
eurjchem-2275	206	10	of	of	ADP
eurjchem-2275	206	11	methyl	methyl	NOUN
eurjchem-2275	206	12	groups	group	NOUN
eurjchem-2275	206	13	is	be	AUX
eurjchem-2275	206	14	the	the	DET
eurjchem-2275	206	15	lowest	low	ADJ
eurjchem-2275	206	16	and	and	CCONJ
eurjchem-2275	206	17	deviates	deviate	VERB
eurjchem-2275	206	18	from	from	ADP
eurjchem-2275	206	19	that	that	PRON
eurjchem-2275	206	20	in	in	ADP
eurjchem-2275	206	21	the	the	DET
eurjchem-2275	206	22	rest	rest	NOUN
eurjchem-2275	206	23	of	of	ADP
eurjchem-2275	206	24	the	the	DET
eurjchem-2275	206	25	standards	standard	NOUN
eurjchem-2275	206	26	in	in	ADP
eurjchem-2275	206	27	both	both	CCONJ
eurjchem-2275	206	28	theoretical	theoretical	ADJ
eurjchem-2275	206	29	and	and	CCONJ
eurjchem-2275	206	30	experimental	experimental	ADJ
eurjchem-2275	206	31	values	value	NOUN
eurjchem-2275	206	32	though	though	SCONJ
eurjchem-2275	206	33	this	this	DET
eurjchem-2275	206	34	group	group	NOUN
eurjchem-2275	206	35	will	will	AUX
eurjchem-2275	206	36	be	be	AUX
eurjchem-2275	206	37	preserved	preserve	VERB
eurjchem-2275	206	38	in	in	ADP
eurjchem-2275	206	39	the	the	DET
eurjchem-2275	206	40	13	13	NUM
eurjchem-2275	206	41	-	-	PUNCT
eurjchem-2275	206	42	atom	atom	NOUN
eurjchem-2275	206	43	fragment	fragment	NOUN
eurjchem-2275	206	44	in	in	ADP
eurjchem-2275	206	45	all	all	PRON
eurjchem-2275	206	46	.	.	PUNCT
eurjchem-2275	207	1	aromatic	aromatic	ADJ
eurjchem-2275	207	2	proton	proton	NOUN
eurjchem-2275	207	3	chemical	chemical	NOUN
eurjchem-2275	207	4	shifts	shift	NOUN
eurjchem-2275	207	5	of	of	ADP
eurjchem-2275	207	6	standards	standard	NOUN
eurjchem-2275	207	7	where	where	SCONJ
eurjchem-2275	207	8	the	the	DET
eurjchem-2275	207	9	24	24	NUM
eurjchem-2275	207	10	-	-	PUNCT
eurjchem-2275	207	11	atom	atom	NOUN
eurjchem-2275	207	12	fragment	fragment	NOUN
eurjchem-2275	207	13	exists	exist	NOUN
eurjchem-2275	207	14	are	be	AUX
eurjchem-2275	207	15	coherent	coherent	ADJ
eurjchem-2275	207	16	among	among	ADP
eurjchem-2275	207	17	them	they	PRON
eurjchem-2275	207	18	and	and	CCONJ
eurjchem-2275	207	19	between	between	ADP
eurjchem-2275	207	20	theoretical	theoretical	ADJ
eurjchem-2275	207	21	and	and	CCONJ
eurjchem-2275	207	22	experimental	experimental	ADJ
eurjchem-2275	207	23	values	value	NOUN
eurjchem-2275	207	24	.	.	PUNCT
eurjchem-2275	208	1	not	not	PART
eurjchem-2275	208	2	only	only	ADV
eurjchem-2275	208	3	are	be	AUX
eurjchem-2275	208	4	the	the	DET
eurjchem-2275	208	5	theoretical	theoretical	ADJ
eurjchem-2275	208	6	values	value	NOUN
eurjchem-2275	208	7	of	of	ADP
eurjchem-2275	208	8	the	the	DET
eurjchem-2275	208	9	carboxyl	carboxyl	NOUN
eurjchem-2275	208	10	13c	13c	NOUN
eurjchem-2275	208	11	chemical	chemical	NOUN
eurjchem-2275	208	12	shifts	shift	NOUN
eurjchem-2275	208	13	the	the	DET
eurjchem-2275	208	14	same	same	ADJ
eurjchem-2275	208	15	in	in	ADP
eurjchem-2275	208	16	all	all	DET
eurjchem-2275	208	17	standards	standard	NOUN
eurjchem-2275	208	18	,	,	PUNCT
eurjchem-2275	208	19	the	the	DET
eurjchem-2275	208	20	correlation	correlation	NOUN
eurjchem-2275	208	21	with	with	ADP
eurjchem-2275	208	22	experimental	experimental	ADJ
eurjchem-2275	208	23	values	value	NOUN
eurjchem-2275	208	24	is	be	AUX
eurjchem-2275	208	25	consistent	consistent	ADJ
eurjchem-2275	208	26	as	as	ADV
eurjchem-2275	208	27	well	well	ADV
eurjchem-2275	208	28	,	,	PUNCT
eurjchem-2275	208	29	but	but	CCONJ
eurjchem-2275	208	30	the	the	DET
eurjchem-2275	208	31	corresponding	correspond	VERB
eurjchem-2275	208	32	values	value	NOUN
eurjchem-2275	208	33	for	for	ADP
eurjchem-2275	208	34	gem	gem	NOUN
eurjchem-2275	208	35	are	be	AUX
eurjchem-2275	208	36	at	at	ADP
eurjchem-2275	208	37	higher	high	ADJ
eurjchem-2275	208	38	fields	field	NOUN
eurjchem-2275	208	39	.	.	PUNCT
eurjchem-2275	209	1	the	the	DET
eurjchem-2275	209	2	most	most	ADV
eurjchem-2275	209	3	striking	striking	ADJ
eurjchem-2275	209	4	observation	observation	NOUN
eurjchem-2275	209	5	is	be	AUX
eurjchem-2275	209	6	found	find	VERB
eurjchem-2275	209	7	in	in	ADP
eurjchem-2275	209	8	the	the	DET
eurjchem-2275	209	9	quaternary	quaternary	ADJ
eurjchem-2275	209	10	13c	13c	NOUN
eurjchem-2275	209	11	of	of	ADP
eurjchem-2275	209	12	the	the	DET
eurjchem-2275	209	13	standard	standard	NOUN
eurjchem-2275	209	14	in	in	ADP
eurjchem-2275	209	15	the	the	DET
eurjchem-2275	209	16	fragment	fragment	NOUN
eurjchem-2275	209	17	that	that	PRON
eurjchem-2275	209	18	is	be	AUX
eurjchem-2275	209	19	a	a	DET
eurjchem-2275	209	20	signature	signature	NOUN
eurjchem-2275	209	21	of	of	ADP
eurjchem-2275	209	22	fibric	fibric	ADJ
eurjchem-2275	209	23	acids	acid	NOUN
eurjchem-2275	209	24	.	.	PUNCT
eurjchem-2275	210	1	the	the	DET
eurjchem-2275	210	2	experimental	experimental	ADJ
eurjchem-2275	210	3	chemical	chemical	NOUN
eurjchem-2275	210	4	shift	shift	NOUN
eurjchem-2275	210	5	is	be	AUX
eurjchem-2275	210	6	preserved	preserve	VERB
eurjchem-2275	210	7	in	in	ADP
eurjchem-2275	210	8	beza	beza	PROPN
eurjchem-2275	210	9	,	,	PUNCT
eurjchem-2275	210	10	clo	clo	PROPN
eurjchem-2275	210	11	,	,	PUNCT
eurjchem-2275	210	12	and	and	CCONJ
eurjchem-2275	210	13	fen	fen	PROPN
eurjchem-2275	210	14	,	,	PUNCT
eurjchem-2275	210	15	and	and	CCONJ
eurjchem-2275	210	16	the	the	DET
eurjchem-2275	210	17	correlation	correlation	NOUN
eurjchem-2275	210	18	with	with	ADP
eurjchem-2275	210	19	theoretical	theoretical	ADJ
eurjchem-2275	210	20	value	value	NOUN
eurjchem-2275	210	21	in	in	ADP
eurjchem-2275	210	22	these	these	DET
eurjchem-2275	210	23	standards	standard	NOUN
eurjchem-2275	210	24	is	be	AUX
eurjchem-2275	210	25	sustained	sustain	VERB
eurjchem-2275	210	26	too	too	ADV
eurjchem-2275	210	27	.	.	PUNCT
eurjchem-2275	211	1	however	however	ADV
eurjchem-2275	211	2	,	,	PUNCT
eurjchem-2275	211	3	the	the	DET
eurjchem-2275	211	4	chemical	chemical	NOUN
eurjchem-2275	211	5	shift	shift	NOUN
eurjchem-2275	211	6	of	of	ADP
eurjchem-2275	211	7	this	this	DET
eurjchem-2275	211	8	nucleus	nucleus	NOUN
eurjchem-2275	211	9	in	in	ADP
eurjchem-2275	211	10	the	the	DET
eurjchem-2275	211	11	conserved	conserve	VERB
eurjchem-2275	211	12	fragment	fragment	NOUN
eurjchem-2275	211	13	deviates	deviate	VERB
eurjchem-2275	211	14	by	by	ADP
eurjchem-2275	211	15	about	about	ADV
eurjchem-2275	211	16	40ppm	40ppm	NOUN
eurjchem-2275	211	17	.	.	PUNCT
eurjchem-2275	212	1	dimethyl	dimethyl	PROPN
eurjchem-2275	212	2	13c	13c	NOUN
eurjchem-2275	212	3	chemical	chemical	NOUN
eurjchem-2275	212	4	shifts	shift	NOUN
eurjchem-2275	212	5	of	of	ADP
eurjchem-2275	212	6	fragments	fragment	NOUN
eurjchem-2275	212	7	of	of	ADP
eurjchem-2275	212	8	fibric	fibric	ADJ
eurjchem-2275	212	9	acid	acid	NOUN
eurjchem-2275	212	10	standards	standard	NOUN
eurjchem-2275	212	11	are	be	AUX
eurjchem-2275	212	12	reliably	reliably	ADV
eurjchem-2275	212	13	predictable	predictable	ADJ
eurjchem-2275	212	14	in	in	ADP
eurjchem-2275	212	15	all	all	DET
eurjchem-2275	212	16	standards	standard	NOUN
eurjchem-2275	212	17	except	except	SCONJ
eurjchem-2275	212	18	gem	gem	NOUN
eurjchem-2275	212	19	(	(	PUNCT
eurjchem-2275	212	20	atom	atom	NOUN
eurjchem-2275	212	21	5	5	NUM
eurjchem-2275	212	22	,	,	PUNCT
eurjchem-2275	212	23	7	7	NUM
eurjchem-2275	212	24	)	)	PUNCT
eurjchem-2275	212	25	,	,	PUNCT
eurjchem-2275	212	26	in	in	ADP
eurjchem-2275	212	27	which	which	PRON
eurjchem-2275	212	28	the	the	DET
eurjchem-2275	212	29	theoretical	theoretical	ADJ
eurjchem-2275	212	30	varies	vary	VERB
eurjchem-2275	212	31	significantly	significantly	ADV
eurjchem-2275	212	32	.	.	PUNCT
eurjchem-2275	213	1	the	the	DET
eurjchem-2275	213	2	13atom	13atom	PROPN
eurjchem-2275	213	3	fragment	fragment	NOUN
eurjchem-2275	213	4	including	include	VERB
eurjchem-2275	213	5	this	this	DET
eurjchem-2275	213	6	group	group	NOUN
eurjchem-2275	213	7	is	be	AUX
eurjchem-2275	213	8	preserved	preserve	VERB
eurjchem-2275	213	9	in	in	ADP
eurjchem-2275	213	10	all	all	DET
eurjchem-2275	213	11	the	the	DET
eurjchem-2275	213	12	standards	standard	NOUN
eurjchem-2275	213	13	,	,	PUNCT
eurjchem-2275	213	14	but	but	CCONJ
eurjchem-2275	213	15	significant	significant	ADJ
eurjchem-2275	213	16	change	change	NOUN
eurjchem-2275	213	17	is	be	AUX
eurjchem-2275	213	18	reflected	reflect	VERB
eurjchem-2275	213	19	in	in	ADP
eurjchem-2275	213	20	the	the	DET
eurjchem-2275	213	21	chemical	chemical	NOUN
eurjchem-2275	213	22	shift	shift	NOUN
eurjchem-2275	213	23	and	and	CCONJ
eurjchem-2275	213	24	the	the	DET
eurjchem-2275	213	25	rmsd	rmsd	NOUN
eurjchem-2275	213	26	among	among	ADP
eurjchem-2275	213	27	them	they	PRON
eurjchem-2275	213	28	.	.	PUNCT
eurjchem-2275	214	1	the	the	DET
eurjchem-2275	214	2	4	4	NUM
eurjchem-2275	214	3	-	-	PUNCT
eurjchem-2275	214	4	cloropheno	cloropheno	ADJ
eurjchem-2275	214	5	fragment	fragment	NOUN
eurjchem-2275	214	6	is	be	AUX
eurjchem-2275	214	7	common	common	ADJ
eurjchem-2275	214	8	to	to	ADP
eurjchem-2275	214	9	beza	beza	PROPN
eurjchem-2275	214	10	,	,	PUNCT
eurjchem-2275	214	11	clo	clo	PROPN
eurjchem-2275	214	12	,	,	PUNCT
eurjchem-2275	214	13	and	and	CCONJ
eurjchem-2275	214	14	fen	fen	PROPN
eurjchem-2275	214	15	but	but	CCONJ
eurjchem-2275	214	16	connectivity	connectivity	NOUN
eurjchem-2275	214	17	is	be	AUX
eurjchem-2275	214	18	different	different	ADJ
eurjchem-2275	214	19	in	in	ADP
eurjchem-2275	214	20	the	the	DET
eurjchem-2275	214	21	rest	rest	NOUN
eurjchem-2275	214	22	of	of	ADP
eurjchem-2275	214	23	the	the	DET
eurjchem-2275	214	24	molecule	molecule	NOUN
eurjchem-2275	214	25	.	.	PUNCT
eurjchem-2275	215	1	the	the	DET
eurjchem-2275	215	2	13c	13c	NUM
eurjchem-2275	215	3	chemical	chemical	NOUN
eurjchem-2275	215	4	shift	shift	NOUN
eurjchem-2275	215	5	fluctuate	fluctuate	NOUN
eurjchem-2275	215	6	noticeably	noticeably	ADV
eurjchem-2275	215	7	among	among	ADP
eurjchem-2275	215	8	them	they	PRON
eurjchem-2275	215	9	and	and	CCONJ
eurjchem-2275	215	10	the	the	DET
eurjchem-2275	215	11	deviation	deviation	NOUN
eurjchem-2275	215	12	between	between	ADP
eurjchem-2275	215	13	the	the	DET
eurjchem-2275	215	14	theoretical	theoretical	ADJ
eurjchem-2275	215	15	and	and	CCONJ
eurjchem-2275	215	16	experimental	experimental	ADJ
eurjchem-2275	215	17	are	be	AUX
eurjchem-2275	215	18	different	different	ADJ
eurjchem-2275	215	19	too	too	ADV
eurjchem-2275	215	20	.	.	PUNCT
eurjchem-2275	216	1	however	however	ADV
eurjchem-2275	216	2	,	,	PUNCT
eurjchem-2275	216	3	the	the	DET
eurjchem-2275	216	4	13c	13c	NOUN
eurjchem-2275	216	5	shifts	shift	NOUN
eurjchem-2275	216	6	of	of	ADP
eurjchem-2275	216	7	the	the	DET
eurjchem-2275	216	8	atom	atom	NOUN
eurjchem-2275	216	9	bonded	bond	VERB
eurjchem-2275	216	10	to	to	PART
eurjchem-2275	216	11	cl	cl	NOUN
eurjchem-2275	216	12	show	show	VERB
eurjchem-2275	216	13	similar	similar	ADJ
eurjchem-2275	216	14	trends	trend	NOUN
eurjchem-2275	216	15	and	and	CCONJ
eurjchem-2275	216	16	differences	difference	NOUN
eurjchem-2275	216	17	in	in	ADP
eurjchem-2275	216	18	beza	beza	PROPN
eurjchem-2275	216	19	and	and	CCONJ
eurjchem-2275	216	20	fen	fen	PROPN
eurjchem-2275	216	21	though	though	SCONJ
eurjchem-2275	216	22	this	this	DET
eurjchem-2275	216	23	fragment	fragment	NOUN
eurjchem-2275	216	24	is	be	AUX
eurjchem-2275	216	25	connected	connect	VERB
eurjchem-2275	216	26	to	to	ADP
eurjchem-2275	216	27	the	the	DET
eurjchem-2275	216	28	carbonyl	carbonyl	NOUN
eurjchem-2275	216	29	group	group	NOUN
eurjchem-2275	216	30	of	of	ADP
eurjchem-2275	216	31	an	an	DET
eurjchem-2275	216	32	amide	amide	NOUN
eurjchem-2275	216	33	or	or	CCONJ
eurjchem-2275	216	34	ketone	ketone	NOUN
eurjchem-2275	216	35	.	.	PUNCT
eurjchem-2275	217	1	whereas	whereas	SCONJ
eurjchem-2275	217	2	the	the	DET
eurjchem-2275	217	3	13c	13c	X
eurjchem-2275	217	4	atom	atom	NOUN
eurjchem-2275	217	5	bonded	bond	VERB
eurjchem-2275	217	6	to	to	ADP
eurjchem-2275	217	7	the	the	DET
eurjchem-2275	217	8	o	o	NOUN
eurjchem-2275	217	9	of	of	ADP
eurjchem-2275	217	10	the	the	DET
eurjchem-2275	217	11	phenoxy	phenoxy	ADJ
eurjchem-2275	217	12	fragment	fragment	NOUN
eurjchem-2275	217	13	,	,	PUNCT
eurjchem-2275	217	14	regardless	regardless	ADV
eurjchem-2275	217	15	of	of	ADP
eurjchem-2275	217	16	the	the	DET
eurjchem-2275	217	17	aromatic	aromatic	ADJ
eurjchem-2275	217	18	substitution	substitution	NOUN
eurjchem-2275	217	19	and	and	CCONJ
eurjchem-2275	217	20	the	the	DET
eurjchem-2275	217	21	fragment	fragment	NOUN
eurjchem-2275	217	22	connected	connect	VERB
eurjchem-2275	217	23	,	,	PUNCT
eurjchem-2275	217	24	it	it	PRON
eurjchem-2275	217	25	seems	seem	VERB
eurjchem-2275	217	26	to	to	PART
eurjchem-2275	217	27	maintain	maintain	VERB
eurjchem-2275	217	28	the	the	DET
eurjchem-2275	217	29	chemical	chemical	NOUN
eurjchem-2275	217	30	shift	shift	NOUN
eurjchem-2275	217	31	and	and	CCONJ
eurjchem-2275	217	32	the	the	DET
eurjchem-2275	217	33	difference	difference	NOUN
eurjchem-2275	217	34	between	between	ADP
eurjchem-2275	217	35	the	the	DET
eurjchem-2275	217	36	theoretical	theoretical	ADJ
eurjchem-2275	217	37	and	and	CCONJ
eurjchem-2275	217	38	experimental	experimental	ADJ
eurjchem-2275	217	39	values	value	NOUN
eurjchem-2275	217	40	consistently	consistently	ADV
eurjchem-2275	217	41	in	in	ADP
eurjchem-2275	217	42	all	all	DET
eurjchem-2275	217	43	standards	standard	NOUN
eurjchem-2275	217	44	.	.	PUNCT
eurjchem-2275	218	1	utilizing	utilize	VERB
eurjchem-2275	218	2	three	three	NUM
eurjchem-2275	218	3	standards	standard	NOUN
eurjchem-2275	218	4	with	with	ADP
eurjchem-2275	218	5	the	the	DET
eurjchem-2275	218	6	24	24	NUM
eurjchem-2275	218	7	-	-	PUNCT
eurjchem-2275	218	8	atom	atom	NOUN
eurjchem-2275	218	9	fragment	fragment	NOUN
eurjchem-2275	218	10	highlights	highlight	NOUN
eurjchem-2275	218	11	the	the	DET
eurjchem-2275	218	12	validity	validity	NOUN
eurjchem-2275	218	13	of	of	ADP
eurjchem-2275	218	14	the	the	DET
eurjchem-2275	218	15	theoretical	theoretical	ADJ
eurjchem-2275	218	16	and	and	CCONJ
eurjchem-2275	218	17	experimental	experimental	ADJ
eurjchem-2275	218	18	correlation	correlation	NOUN
eurjchem-2275	218	19	whereas	whereas	SCONJ
eurjchem-2275	218	20	including	include	VERB
eurjchem-2275	218	21	the	the	DET
eurjchem-2275	218	22	13	13	NUM
eurjchem-2275	218	23	-	-	PUNCT
eurjchem-2275	218	24	atom	atom	NOUN
eurjchem-2275	218	25	fragment	fragment	NOUN
eurjchem-2275	218	26	with	with	ADP
eurjchem-2275	218	27	less	less	ADV
eurjchem-2275	218	28	common	common	ADJ
eurjchem-2275	218	29	atomic	atomic	ADJ
eurjchem-2275	218	30	composition	composition	NOUN
eurjchem-2275	218	31	and	and	CCONJ
eurjchem-2275	218	32	connectivity	connectivity	NOUN
eurjchem-2275	218	33	brings	bring	VERB
eurjchem-2275	218	34	out	out	ADP
eurjchem-2275	218	35	the	the	DET
eurjchem-2275	218	36	differences	difference	NOUN
eurjchem-2275	218	37	due	due	ADP
eurjchem-2275	218	38	to	to	ADP
eurjchem-2275	218	39	connectivity	connectivity	NOUN
eurjchem-2275	218	40	.	.	PUNCT
eurjchem-2275	219	1	194	194	NUM
eurjchem-2275	219	2	miller	miller	PROPN
eurjchem-2275	219	3	et	et	PROPN
eurjchem-2275	219	4	al	al	PROPN
eurjchem-2275	219	5	.	.	PUNCT
eurjchem-2275	219	6	/	/	SYM
eurjchem-2275	219	7	european	european	PROPN
eurjchem-2275	219	8	journal	journal	PROPN
eurjchem-2275	219	9	of	of	ADP
eurjchem-2275	219	10	chemistry	chemistry	NOUN
eurjchem-2275	219	11	13	13	NUM
eurjchem-2275	219	12	(	(	PUNCT
eurjchem-2275	219	13	2	2	NUM
eurjchem-2275	219	14	)	)	PUNCT
eurjchem-2275	219	15	(	(	PUNCT
eurjchem-2275	219	16	2022	2022	NUM
eurjchem-2275	219	17	)	)	PUNCT
eurjchem-2275	219	18	186	186	NUM
eurjchem-2275	219	19	-	-	SYM
eurjchem-2275	219	20	195	195	NUM
eurjchem-2275	219	21	2022	2022	NUM
eurjchem-2275	219	22	–	–	PUNCT
eurjchem-2275	219	23	european	european	ADJ
eurjchem-2275	219	24	journal	journal	NOUN
eurjchem-2275	219	25	of	of	ADP
eurjchem-2275	219	26	chemistry	chemistry	NOUN
eurjchem-2275	219	27	–	–	PUNCT
eurjchem-2275	219	28	cc	cc	NOUN
eurjchem-2275	219	29	by	by	ADP
eurjchem-2275	219	30	nc	nc	PROPN
eurjchem-2275	219	31	–	–	PUNCT
eurjchem-2275	219	32	doi	doi	NOUN
eurjchem-2275	219	33	:	:	PUNCT
eurjchem-2275	219	34	10.5155	10.5155	NUM
eurjchem-2275	219	35	/	/	SYM
eurjchem-2275	219	36	eurjchem.13.2.186	eurjchem.13.2.186	NOUN
eurjchem-2275	219	37	-	-	SYM
eurjchem-2275	219	38	195.2275	195.2275	NUM
eurjchem-2275	219	39	4	4	NUM
eurjchem-2275	219	40	.	.	PUNCT
eurjchem-2275	219	41	discussion	discussion	NOUN
eurjchem-2275	219	42	all	all	DET
eurjchem-2275	219	43	fibric	fibric	ADJ
eurjchem-2275	219	44	acids	acid	NOUN
eurjchem-2275	219	45	have	have	VERB
eurjchem-2275	219	46	in	in	ADP
eurjchem-2275	219	47	common	common	ADJ
eurjchem-2275	219	48	the	the	DET
eurjchem-2275	219	49	core	core	NOUN
eurjchem-2275	219	50	fragments	fragment	NOUN
eurjchem-2275	219	51	phenoxy	phenoxy	ADJ
eurjchem-2275	219	52	and	and	CCONJ
eurjchem-2275	219	53	2	2	NUM
eurjchem-2275	219	54	-	-	PUNCT
eurjchem-2275	219	55	dimethylpropanoic	dimethylpropanoic	NOUN
eurjchem-2275	219	56	acid	acid	NOUN
eurjchem-2275	219	57	with	with	ADP
eurjchem-2275	219	58	similar	similar	ADJ
eurjchem-2275	219	59	chemical	chemical	ADJ
eurjchem-2275	219	60	connectivities	connectivity	NOUN
eurjchem-2275	219	61	,	,	PUNCT
eurjchem-2275	219	62	but	but	CCONJ
eurjchem-2275	219	63	there	there	PRON
eurjchem-2275	219	64	are	be	VERB
eurjchem-2275	219	65	distinguishing	distinguish	VERB
eurjchem-2275	219	66	features	feature	NOUN
eurjchem-2275	219	67	among	among	ADP
eurjchem-2275	219	68	them	they	PRON
eurjchem-2275	219	69	which	which	PRON
eurjchem-2275	219	70	are	be	AUX
eurjchem-2275	219	71	considered	consider	VERB
eurjchem-2275	219	72	here	here	ADV
eurjchem-2275	219	73	.	.	PUNCT
eurjchem-2275	220	1	comparison	comparison	NOUN
eurjchem-2275	220	2	among	among	ADP
eurjchem-2275	220	3	each	each	DET
eurjchem-2275	220	4	fibric	fibric	ADJ
eurjchem-2275	220	5	acid	acid	NOUN
eurjchem-2275	220	6	considering	consider	VERB
eurjchem-2275	220	7	its	its	PRON
eurjchem-2275	220	8	low	low	ADJ
eurjchem-2275	220	9	-	-	PUNCT
eurjchem-2275	220	10	g	g	NOUN
eurjchem-2275	220	11	°	°	ADP
eurjchem-2275	220	12	conformations	conformation	NOUN
eurjchem-2275	220	13	identified	identify	VERB
eurjchem-2275	220	14	in	in	ADP
eurjchem-2275	220	15	the	the	DET
eurjchem-2275	220	16	computational	computational	ADJ
eurjchem-2275	220	17	study	study	NOUN
eurjchem-2275	220	18	reveals	reveal	VERB
eurjchem-2275	220	19	their	their	PRON
eurjchem-2275	220	20	flexibilities	flexibility	NOUN
eurjchem-2275	220	21	.	.	PUNCT
eurjchem-2275	221	1	beyond	beyond	ADP
eurjchem-2275	221	2	the	the	DET
eurjchem-2275	221	3	flexibility	flexibility	NOUN
eurjchem-2275	221	4	of	of	ADP
eurjchem-2275	221	5	a	a	DET
eurjchem-2275	221	6	single	single	ADJ
eurjchem-2275	221	7	conformer	conformer	NOUN
eurjchem-2275	221	8	due	due	ADP
eurjchem-2275	221	9	to	to	ADP
eurjchem-2275	221	10	its	its	PRON
eurjchem-2275	221	11	vibrational	vibrational	ADJ
eurjchem-2275	221	12	motion	motion	NOUN
eurjchem-2275	221	13	,	,	PUNCT
eurjchem-2275	221	14	adjustability	adjustability	NOUN
eurjchem-2275	221	15	of	of	ADP
eurjchem-2275	221	16	the	the	DET
eurjchem-2275	221	17	conformer	conformer	NOUN
eurjchem-2275	221	18	ensemble	ensemble	ADJ
eurjchem-2275	221	19	can	can	AUX
eurjchem-2275	221	20	be	be	AUX
eurjchem-2275	221	21	characterized	characterize	VERB
eurjchem-2275	221	22	by	by	ADP
eurjchem-2275	221	23	an	an	DET
eurjchem-2275	221	24	average	average	ADJ
eurjchem-2275	221	25	atom	atom	NOUN
eurjchem-2275	221	26	-	-	PUNCT
eurjchem-2275	221	27	positional	positional	ADJ
eurjchem-2275	221	28	rmsd	rmsd	NOUN
eurjchem-2275	221	29	using	use	VERB
eurjchem-2275	221	30	all	all	DET
eurjchem-2275	221	31	atoms	atom	NOUN
eurjchem-2275	221	32	,	,	PUNCT
eurjchem-2275	221	33	weighting	weight	VERB
eurjchem-2275	221	34	each	each	DET
eurjchem-2275	221	35	conformer	conformer	NOUN
eurjchem-2275	221	36	’s	’s	PART
eurjchem-2275	221	37	rmsd	rmsd	NOUN
eurjchem-2275	221	38	relative	relative	ADJ
eurjchem-2275	221	39	to	to	ADP
eurjchem-2275	221	40	the	the	DET
eurjchem-2275	221	41	a	a	DET
eurjchem-2275	221	42	conformer	conformer	NOUN
eurjchem-2275	221	43	according	accord	VERB
eurjchem-2275	221	44	to	to	ADP
eurjchem-2275	221	45	its	its	PRON
eurjchem-2275	221	46	boltzmann	boltzmann	PROPN
eurjchem-2275	221	47	population	population	NOUN
eurjchem-2275	221	48	.	.	PUNCT
eurjchem-2275	222	1	this	this	PRON
eurjchem-2275	222	2	gives	give	VERB
eurjchem-2275	222	3	,	,	PUNCT
eurjchem-2275	222	4	in	in	ADP
eurjchem-2275	222	5	increasing	increase	VERB
eurjchem-2275	222	6	order	order	NOUN
eurjchem-2275	222	7	(	(	PUNCT
eurjchem-2275	222	8	tables	table	NOUN
eurjchem-2275	222	9	2	2	NUM
eurjchem-2275	222	10	-	-	SYM
eurjchem-2275	222	11	5	5	NUM
eurjchem-2275	222	12	)	)	PUNCT
eurjchem-2275	222	13	clo	clo	X
eurjchem-2275	222	14	<	<	X
eurjchem-2275	222	15	gem	gem	NOUN
eurjchem-2275	222	16	<	<	X
eurjchem-2275	222	17	beza	beza	PROPN
eurjchem-2275	222	18	<	<	X
eurjchem-2275	222	19	fen	fen	PROPN
eurjchem-2275	222	20	.	.	PUNCT
eurjchem-2275	223	1	clo	clo	PROPN
eurjchem-2275	223	2	has	have	VERB
eurjchem-2275	223	3	low	low	ADJ
eurjchem-2275	223	4	adaptability	adaptability	NOUN
eurjchem-2275	223	5	because	because	SCONJ
eurjchem-2275	223	6	it	it	PRON
eurjchem-2275	223	7	has	have	VERB
eurjchem-2275	223	8	few	few	ADJ
eurjchem-2275	223	9	hindered	hinder	VERB
eurjchem-2275	223	10	rotations	rotation	NOUN
eurjchem-2275	223	11	.	.	PUNCT
eurjchem-2275	224	1	also	also	ADV
eurjchem-2275	224	2	,	,	PUNCT
eurjchem-2275	224	3	its	its	PRON
eurjchem-2275	224	4	conformer	conformer	NOUN
eurjchem-2275	224	5	a	a	PRON
eurjchem-2275	224	6	is	be	AUX
eurjchem-2275	224	7	much	much	ADV
eurjchem-2275	224	8	more	more	ADV
eurjchem-2275	224	9	stable	stable	ADJ
eurjchem-2275	224	10	than	than	ADP
eurjchem-2275	224	11	the	the	DET
eurjchem-2275	224	12	others	other	NOUN
eurjchem-2275	224	13	,	,	PUNCT
eurjchem-2275	224	14	which	which	PRON
eurjchem-2275	224	15	all	all	PRON
eurjchem-2275	224	16	have	have	VERB
eurjchem-2275	224	17	low	low	ADJ
eurjchem-2275	224	18	availability	availability	NOUN
eurjchem-2275	224	19	and	and	CCONJ
eurjchem-2275	224	20	small	small	ADJ
eurjchem-2275	224	21	populations	population	NOUN
eurjchem-2275	224	22	.	.	PUNCT
eurjchem-2275	225	1	fen	fen	PROPN
eurjchem-2275	225	2	has	have	VERB
eurjchem-2275	225	3	high	high	ADJ
eurjchem-2275	225	4	flexibility	flexibility	NOUN
eurjchem-2275	225	5	because	because	SCONJ
eurjchem-2275	225	6	it	it	PRON
eurjchem-2275	225	7	has	have	VERB
eurjchem-2275	225	8	many	many	ADJ
eurjchem-2275	225	9	low	low	ADJ
eurjchem-2275	225	10	energy	energy	NOUN
eurjchem-2275	225	11	(	(	PUNCT
eurjchem-2275	225	12	available	available	ADJ
eurjchem-2275	225	13	)	)	PUNCT
eurjchem-2275	225	14	conformations	conformation	NOUN
eurjchem-2275	225	15	with	with	ADP
eurjchem-2275	225	16	substantial	substantial	ADJ
eurjchem-2275	225	17	populations	population	NOUN
eurjchem-2275	225	18	.	.	PUNCT
eurjchem-2275	226	1	the	the	DET
eurjchem-2275	226	2	ph	ph	VERB
eurjchem-2275	226	3	-	-	PUNCT
eurjchem-2275	226	4	o	o	NOUN
eurjchem-2275	226	5	-	-	NOUN
eurjchem-2275	226	6	c	c	ADJ
eurjchem-2275	226	7	fragment	fragment	NOUN
eurjchem-2275	226	8	is	be	AUX
eurjchem-2275	226	9	planar	planar	ADJ
eurjchem-2275	226	10	in	in	ADP
eurjchem-2275	226	11	all	all	DET
eurjchem-2275	226	12	conformers	conformer	NOUN
eurjchem-2275	226	13	except	except	SCONJ
eurjchem-2275	226	14	the	the	DET
eurjchem-2275	226	15	a	a	NOUN
eurjchem-2275	226	16	and	and	CCONJ
eurjchem-2275	226	17	b	b	PROPN
eurjchem-2275	226	18	of	of	ADP
eurjchem-2275	226	19	clo	clo	PROPN
eurjchem-2275	226	20	,	,	PUNCT
eurjchem-2275	226	21	beza	beza	PROPN
eurjchem-2275	226	22	,	,	PUNCT
eurjchem-2275	226	23	and	and	CCONJ
eurjchem-2275	226	24	fen	fen	PROPN
eurjchem-2275	226	25	.	.	PUNCT
eurjchem-2275	227	1	thus	thus	ADV
eurjchem-2275	227	2	,	,	PUNCT
eurjchem-2275	227	3	rotation	rotation	NOUN
eurjchem-2275	227	4	about	about	ADP
eurjchem-2275	227	5	the	the	DET
eurjchem-2275	227	6	ph	ph	VERB
eurjchem-2275	227	7	-	-	ADJ
eurjchem-2275	227	8	o	o	NOUN
eurjchem-2275	227	9	bond	bond	NOUN
eurjchem-2275	227	10	seems	seem	VERB
eurjchem-2275	227	11	to	to	PART
eurjchem-2275	227	12	contribute	contribute	VERB
eurjchem-2275	227	13	only	only	ADV
eurjchem-2275	227	14	limited	limited	ADJ
eurjchem-2275	227	15	flexibility	flexibility	NOUN
eurjchem-2275	227	16	,	,	PUNCT
eurjchem-2275	227	17	not	not	PART
eurjchem-2275	227	18	as	as	SCONJ
eurjchem-2275	227	19	expected	expect	VERB
eurjchem-2275	227	20	for	for	ADP
eurjchem-2275	227	21	an	an	DET
eurjchem-2275	227	22	ether	ether	NOUN
eurjchem-2275	227	23	with	with	ADP
eurjchem-2275	227	24	an	an	DET
eurjchem-2275	227	25	sp3	sp3	ADJ
eurjchem-2275	227	26	o	o	NOUN
eurjchem-2275	227	27	atom	atom	NOUN
eurjchem-2275	227	28	.	.	PUNCT
eurjchem-2275	228	1	the	the	DET
eurjchem-2275	228	2	computed	compute	VERB
eurjchem-2275	228	3	geometries	geometry	NOUN
eurjchem-2275	228	4	show	show	VERB
eurjchem-2275	228	5	c	c	NOUN
eurjchem-2275	228	6	-	-	PUNCT
eurjchem-2275	228	7	o	o	NOUN
eurjchem-2275	228	8	-	-	NOUN
eurjchem-2275	228	9	c	c	NOUN
eurjchem-2275	228	10	angles	angle	NOUN
eurjchem-2275	228	11	consistently	consistently	ADV
eurjchem-2275	228	12	near	near	ADP
eurjchem-2275	228	13	120	120	NUM
eurjchem-2275	228	14	°	°	NOUN
eurjchem-2275	228	15	for	for	ADP
eurjchem-2275	228	16	all	all	DET
eurjchem-2275	228	17	conformers	conformer	NOUN
eurjchem-2275	228	18	of	of	ADP
eurjchem-2275	228	19	the	the	DET
eurjchem-2275	228	20	fibric	fibric	ADJ
eurjchem-2275	228	21	acids	acid	NOUN
eurjchem-2275	228	22	,	,	PUNCT
eurjchem-2275	228	23	implying	imply	VERB
eurjchem-2275	228	24	nominal	nominal	ADJ
eurjchem-2275	228	25	ether	ether	NOUN
eurjchem-2275	228	26	o	o	NOUN
eurjchem-2275	228	27	atoms	atom	NOUN
eurjchem-2275	228	28	with	with	ADP
eurjchem-2275	228	29	sp2	sp2	NOUN
eurjchem-2275	228	30	character	character	NOUN
eurjchem-2275	228	31	.	.	PUNCT
eurjchem-2275	229	1	the	the	DET
eurjchem-2275	229	2	unshared	unshared	ADJ
eurjchem-2275	229	3	electrons	electron	NOUN
eurjchem-2275	229	4	on	on	ADP
eurjchem-2275	229	5	o	o	NOUN
eurjchem-2275	229	6	would	would	AUX
eurjchem-2275	229	7	tend	tend	VERB
eurjchem-2275	229	8	to	to	PART
eurjchem-2275	229	9	conjugate	conjugate	VERB
eurjchem-2275	229	10	with	with	ADP
eurjchem-2275	229	11	the	the	DET
eurjchem-2275	229	12	π	π	PROPN
eurjchem-2275	229	13	system	system	NOUN
eurjchem-2275	229	14	of	of	ADP
eurjchem-2275	229	15	the	the	DET
eurjchem-2275	229	16	aromatic	aromatic	ADJ
eurjchem-2275	229	17	ring	ring	NOUN
eurjchem-2275	229	18	,	,	PUNCT
eurjchem-2275	229	19	as	as	ADP
eurjchem-2275	229	20	in	in	ADP
eurjchem-2275	229	21	molecular	molecular	ADJ
eurjchem-2275	229	22	phenol	phenol	NOUN
eurjchem-2275	229	23	,	,	PUNCT
eurjchem-2275	229	24	giving	give	VERB
eurjchem-2275	229	25	double	double	ADJ
eurjchem-2275	229	26	bond	bond	NOUN
eurjchem-2275	229	27	character	character	NOUN
eurjchem-2275	229	28	to	to	ADP
eurjchem-2275	229	29	the	the	DET
eurjchem-2275	229	30	ph	ph	ADJ
eurjchem-2275	229	31	-	-	ADJ
eurjchem-2275	229	32	o	o	NOUN
eurjchem-2275	229	33	bond	bond	NOUN
eurjchem-2275	229	34	,	,	PUNCT
eurjchem-2275	229	35	whose	whose	DET
eurjchem-2275	229	36	length	length	NOUN
eurjchem-2275	229	37	in	in	ADP
eurjchem-2275	229	38	the	the	DET
eurjchem-2275	229	39	fibric	fibric	ADJ
eurjchem-2275	229	40	acids	acid	NOUN
eurjchem-2275	229	41	is	be	AUX
eurjchem-2275	229	42	computed	compute	VERB
eurjchem-2275	229	43	near	near	ADP
eurjchem-2275	229	44	1.38	1.38	NUM
eurjchem-2275	229	45	å	å	NOUN
eurjchem-2275	229	46	,	,	PUNCT
eurjchem-2275	229	47	while	while	SCONJ
eurjchem-2275	229	48	the	the	DET
eurjchem-2275	229	49	other	other	ADJ
eurjchem-2275	229	50	o	o	NOUN
eurjchem-2275	229	51	-	-	PROPN
eurjchem-2275	229	52	c	c	ADJ
eurjchem-2275	229	53	bond	bond	NOUN
eurjchem-2275	229	54	length	length	NOUN
eurjchem-2275	229	55	is	be	AUX
eurjchem-2275	229	56	near	near	ADP
eurjchem-2275	229	57	1.45	1.45	NUM
eurjchem-2275	229	58	å	å	NOUN
eurjchem-2275	229	59	as	as	ADP
eurjchem-2275	229	60	for	for	ADP
eurjchem-2275	229	61	a	a	DET
eurjchem-2275	229	62	saturated	saturated	ADJ
eurjchem-2275	229	63	ether	ether	NOUN
eurjchem-2275	229	64	.	.	PUNCT
eurjchem-2275	230	1	as	as	SCONJ
eurjchem-2275	230	2	tables	table	NOUN
eurjchem-2275	230	3	1	1	NUM
eurjchem-2275	230	4	-	-	SYM
eurjchem-2275	230	5	5	5	NUM
eurjchem-2275	230	6	show	show	NOUN
eurjchem-2275	230	7	,	,	PUNCT
eurjchem-2275	230	8	variations	variation	NOUN
eurjchem-2275	230	9	in	in	ADP
eurjchem-2275	230	10	vdw	vdw	NOUN
eurjchem-2275	230	11	and	and	CCONJ
eurjchem-2275	230	12	solventaccessible	solventaccessible	ADJ
eurjchem-2275	230	13	volumes	volume	NOUN
eurjchem-2275	230	14	and	and	CCONJ
eurjchem-2275	230	15	surface	surface	NOUN
eurjchem-2275	230	16	areas	area	NOUN
eurjchem-2275	230	17	among	among	ADP
eurjchem-2275	230	18	the	the	DET
eurjchem-2275	230	19	conformers	conformer	NOUN
eurjchem-2275	230	20	of	of	ADP
eurjchem-2275	230	21	a	a	DET
eurjchem-2275	230	22	given	give	VERB
eurjchem-2275	230	23	compound	compound	NOUN
eurjchem-2275	230	24	are	be	AUX
eurjchem-2275	230	25	slight	slight	ADJ
eurjchem-2275	230	26	,	,	PUNCT
eurjchem-2275	230	27	but	but	CCONJ
eurjchem-2275	230	28	there	there	PRON
eurjchem-2275	230	29	is	be	VERB
eurjchem-2275	230	30	consistent	consistent	ADJ
eurjchem-2275	230	31	ranking	ranking	NOUN
eurjchem-2275	230	32	among	among	ADP
eurjchem-2275	230	33	the	the	DET
eurjchem-2275	230	34	fibric	fibric	ADJ
eurjchem-2275	230	35	acids	acid	NOUN
eurjchem-2275	230	36	,	,	PUNCT
eurjchem-2275	230	37	namely	namely	ADV
eurjchem-2275	230	38	beza	beza	PROPN
eurjchem-2275	230	39	>	>	X
eurjchem-2275	230	40	fen	fen	PROPN
eurjchem-2275	230	41	>	>	X
eurjchem-2275	230	42	gem	gem	PROPN
eurjchem-2275	230	43	>	>	X
eurjchem-2275	230	44	clo	clo	PROPN
eurjchem-2275	230	45	with	with	ADP
eurjchem-2275	230	46	fen	fen	PROPN
eurjchem-2275	230	47	and	and	CCONJ
eurjchem-2275	230	48	gem	gem	NOUN
eurjchem-2275	230	49	relatively	relatively	ADV
eurjchem-2275	230	50	close	close	ADJ
eurjchem-2275	230	51	.	.	PUNCT
eurjchem-2275	231	1	if	if	SCONJ
eurjchem-2275	231	2	these	these	DET
eurjchem-2275	231	3	properties	property	NOUN
eurjchem-2275	231	4	simply	simply	ADV
eurjchem-2275	231	5	followed	follow	VERB
eurjchem-2275	231	6	the	the	DET
eurjchem-2275	231	7	number	number	NOUN
eurjchem-2275	231	8	of	of	ADP
eurjchem-2275	231	9	atoms	atom	NOUN
eurjchem-2275	231	10	per	per	ADP
eurjchem-2275	231	11	molecule	molecule	NOUN
eurjchem-2275	231	12	,	,	PUNCT
eurjchem-2275	231	13	one	one	PRON
eurjchem-2275	231	14	would	would	AUX
eurjchem-2275	231	15	expect	expect	VERB
eurjchem-2275	231	16	beza	beza	PROPN
eurjchem-2275	231	17	>	>	PROPN
eurjchem-2275	231	18	gem	gem	PROPN
eurjchem-2275	231	19	>	>	X
eurjchem-2275	231	20	fen	fen	PROPN
eurjchem-2275	231	21	>	>	X
eurjchem-2275	231	22	clo	clo	PROPN
eurjchem-2275	231	23	,	,	PUNCT
eurjchem-2275	231	24	but	but	CCONJ
eurjchem-2275	231	25	the	the	DET
eurjchem-2275	231	26	different	different	ADJ
eurjchem-2275	231	27	elemental	elemental	ADJ
eurjchem-2275	231	28	compositions	composition	NOUN
eurjchem-2275	231	29	of	of	ADP
eurjchem-2275	231	30	especially	especially	ADV
eurjchem-2275	231	31	gem	gem	NOUN
eurjchem-2275	231	32	versus	versus	ADP
eurjchem-2275	231	33	fen	fen	PROPN
eurjchem-2275	231	34	account	account	VERB
eurjchem-2275	231	35	for	for	ADP
eurjchem-2275	231	36	the	the	DET
eurjchem-2275	231	37	computed	compute	VERB
eurjchem-2275	231	38	ranking	ranking	NOUN
eurjchem-2275	231	39	.	.	PUNCT
eurjchem-2275	232	1	dipole	dipole	NOUN
eurjchem-2275	232	2	moments	moment	NOUN
eurjchem-2275	232	3	show	show	VERB
eurjchem-2275	232	4	moderate	moderate	ADJ
eurjchem-2275	232	5	variation	variation	NOUN
eurjchem-2275	232	6	among	among	ADP
eurjchem-2275	232	7	conformers	conformer	NOUN
eurjchem-2275	232	8	of	of	ADP
eurjchem-2275	232	9	the	the	DET
eurjchem-2275	232	10	same	same	ADJ
eurjchem-2275	232	11	fibric	fibric	ADV
eurjchem-2275	232	12	acid	acid	NOUN
eurjchem-2275	232	13	.	.	PUNCT
eurjchem-2275	233	1	beza	beza	PROPN
eurjchem-2275	233	2	conformers	conformer	NOUN
eurjchem-2275	233	3	have	have	VERB
eurjchem-2275	233	4	significantly	significantly	ADV
eurjchem-2275	233	5	greater	great	ADJ
eurjchem-2275	233	6	µ	µ	NOUN
eurjchem-2275	233	7	than	than	ADP
eurjchem-2275	233	8	those	those	PRON
eurjchem-2275	233	9	of	of	ADP
eurjchem-2275	233	10	the	the	DET
eurjchem-2275	233	11	other	other	ADJ
eurjchem-2275	233	12	three	three	NUM
eurjchem-2275	233	13	compounds	compound	NOUN
eurjchem-2275	233	14	.	.	PUNCT
eurjchem-2275	234	1	this	this	PRON
eurjchem-2275	234	2	is	be	AUX
eurjchem-2275	234	3	attributed	attribute	VERB
eurjchem-2275	234	4	to	to	ADP
eurjchem-2275	234	5	its	its	PRON
eurjchem-2275	234	6	larger	large	ADJ
eurjchem-2275	234	7	size	size	NOUN
eurjchem-2275	234	8	and	and	CCONJ
eurjchem-2275	234	9	amide	amide	NOUN
eurjchem-2275	234	10	group	group	NOUN
eurjchem-2275	234	11	,	,	PUNCT
eurjchem-2275	234	12	suggesting	suggest	VERB
eurjchem-2275	234	13	a	a	DET
eurjchem-2275	234	14	greater	great	ADJ
eurjchem-2275	234	15	hydrophilicity	hydrophilicity	NOUN
eurjchem-2275	234	16	for	for	ADP
eurjchem-2275	234	17	beza	beza	NOUN
eurjchem-2275	234	18	.	.	PUNCT
eurjchem-2275	235	1	differences	difference	NOUN
eurjchem-2275	235	2	between	between	ADP
eurjchem-2275	235	3	calculated	calculated	ADJ
eurjchem-2275	235	4	and	and	CCONJ
eurjchem-2275	235	5	experimental	experimental	ADJ
eurjchem-2275	235	6	nmr	nmr	NOUN
eurjchem-2275	235	7	chemical	chemical	NOUN
eurjchem-2275	235	8	shifts	shift	NOUN
eurjchem-2275	235	9	are	be	AUX
eurjchem-2275	235	10	expected	expect	VERB
eurjchem-2275	235	11	to	to	ADP
eurjchem-2275	235	12	the	the	DET
eurjchem-2275	235	13	extent	extent	NOUN
eurjchem-2275	235	14	that	that	SCONJ
eurjchem-2275	235	15	specific	specific	ADJ
eurjchem-2275	235	16	solutesolvent	solutesolvent	NOUN
eurjchem-2275	235	17	interactions	interaction	NOUN
eurjchem-2275	235	18	occur	occur	VERB
eurjchem-2275	235	19	[	[	X
eurjchem-2275	235	20	27	27	NUM
eurjchem-2275	235	21	]	]	PUNCT
eurjchem-2275	235	22	.	.	PUNCT
eurjchem-2275	236	1	comparisons	comparison	NOUN
eurjchem-2275	236	2	of	of	ADP
eurjchem-2275	236	3	these	these	DET
eurjchem-2275	236	4	δ	δ	PROPN
eurjchem-2275	236	5	for	for	ADP
eurjchem-2275	236	6	the	the	DET
eurjchem-2275	236	7	fibric	fibric	ADJ
eurjchem-2275	236	8	acid	acid	NOUN
eurjchem-2275	236	9	derivatives	derivative	NOUN
eurjchem-2275	236	10	imply	imply	VERB
eurjchem-2275	236	11	that	that	SCONJ
eurjchem-2275	236	12	the	the	DET
eurjchem-2275	236	13	calculated	calculated	ADJ
eurjchem-2275	236	14	shifts	shift	NOUN
eurjchem-2275	236	15	may	may	AUX
eurjchem-2275	236	16	be	be	AUX
eurjchem-2275	236	17	used	use	VERB
eurjchem-2275	236	18	to	to	PART
eurjchem-2275	236	19	establish	establish	VERB
eurjchem-2275	236	20	reference	reference	NOUN
eurjchem-2275	236	21	sets	set	NOUN
eurjchem-2275	236	22	to	to	PART
eurjchem-2275	236	23	predict	predict	VERB
eurjchem-2275	236	24	and	and	CCONJ
eurjchem-2275	236	25	monitor	monitor	VERB
eurjchem-2275	236	26	during	during	ADP
eurjchem-2275	236	27	generation	generation	NOUN
eurjchem-2275	236	28	of	of	ADP
eurjchem-2275	236	29	selected	select	VERB
eurjchem-2275	236	30	drug	drug	NOUN
eurjchem-2275	236	31	designs	design	NOUN
eurjchem-2275	236	32	and	and	CCONJ
eurjchem-2275	236	33	identify	identify	VERB
eurjchem-2275	236	34	ones	one	NOUN
eurjchem-2275	236	35	that	that	PRON
eurjchem-2275	236	36	are	be	AUX
eurjchem-2275	236	37	outliers	outlier	NOUN
eurjchem-2275	236	38	,	,	PUNCT
eurjchem-2275	236	39	which	which	PRON
eurjchem-2275	236	40	may	may	AUX
eurjchem-2275	236	41	indicate	indicate	VERB
eurjchem-2275	236	42	unusual	unusual	ADJ
eurjchem-2275	236	43	properties	property	NOUN
eurjchem-2275	236	44	reflected	reflect	VERB
eurjchem-2275	236	45	by	by	ADP
eurjchem-2275	236	46	a	a	DET
eurjchem-2275	236	47	structure	structure	NOUN
eurjchem-2275	236	48	or	or	CCONJ
eurjchem-2275	236	49	an	an	DET
eurjchem-2275	236	50	unanticipated	unanticipated	ADJ
eurjchem-2275	236	51	outcome	outcome	NOUN
eurjchem-2275	236	52	.	.	PUNCT
eurjchem-2275	237	1	such	such	ADJ
eurjchem-2275	237	2	results	result	NOUN
eurjchem-2275	237	3	may	may	AUX
eurjchem-2275	237	4	become	become	VERB
eurjchem-2275	237	5	valuable	valuable	ADJ
eurjchem-2275	237	6	if	if	SCONJ
eurjchem-2275	237	7	caught	catch	VERB
eurjchem-2275	237	8	in	in	ADP
eurjchem-2275	237	9	the	the	DET
eurjchem-2275	237	10	early	early	ADJ
eurjchem-2275	237	11	stages	stage	NOUN
eurjchem-2275	237	12	,	,	PUNCT
eurjchem-2275	237	13	allowing	allow	VERB
eurjchem-2275	237	14	either	either	CCONJ
eurjchem-2275	237	15	a	a	DET
eurjchem-2275	237	16	focusing	focus	VERB
eurjchem-2275	237	17	or	or	CCONJ
eurjchem-2275	237	18	redirection	redirection	NOUN
eurjchem-2275	237	19	of	of	ADP
eurjchem-2275	237	20	the	the	DET
eurjchem-2275	237	21	long	long	ADJ
eurjchem-2275	237	22	-	-	PUNCT
eurjchem-2275	237	23	term	term	NOUN
eurjchem-2275	237	24	approach	approach	NOUN
eurjchem-2275	237	25	.	.	PUNCT
eurjchem-2275	238	1	among	among	ADP
eurjchem-2275	238	2	the	the	DET
eurjchem-2275	238	3	four	four	NUM
eurjchem-2275	238	4	acids	acid	NOUN
eurjchem-2275	238	5	,	,	PUNCT
eurjchem-2275	238	6	gem	gem	NOUN
eurjchem-2275	238	7	tends	tend	VERB
eurjchem-2275	238	8	to	to	PART
eurjchem-2275	238	9	be	be	AUX
eurjchem-2275	238	10	an	an	DET
eurjchem-2275	238	11	exception	exception	NOUN
eurjchem-2275	238	12	to	to	ADP
eurjchem-2275	238	13	the	the	DET
eurjchem-2275	238	14	trends	trend	NOUN
eurjchem-2275	238	15	shown	show	VERB
eurjchem-2275	238	16	by	by	ADP
eurjchem-2275	238	17	the	the	DET
eurjchem-2275	238	18	others	other	NOUN
eurjchem-2275	238	19	because	because	SCONJ
eurjchem-2275	238	20	of	of	ADP
eurjchem-2275	238	21	its	its	PRON
eurjchem-2275	238	22	absence	absence	NOUN
eurjchem-2275	238	23	of	of	ADP
eurjchem-2275	238	24	the	the	DET
eurjchem-2275	238	25	oxy	oxy	ADJ
eurjchem-2275	238	26	function	function	NOUN
eurjchem-2275	238	27	at	at	ADP
eurjchem-2275	238	28	the	the	DET
eurjchem-2275	238	29	quaternary	quaternary	ADJ
eurjchem-2275	238	30	c	c	NOUN
eurjchem-2275	238	31	atom	atom	NOUN
eurjchem-2275	238	32	,	,	PUNCT
eurjchem-2275	238	33	which	which	PRON
eurjchem-2275	238	34	precludes	preclude	VERB
eurjchem-2275	238	35	an	an	DET
eurjchem-2275	238	36	intramolecular	intramolecular	ADJ
eurjchem-2275	238	37	hydrogen	hydrogen	NOUN
eurjchem-2275	238	38	bond	bond	NOUN
eurjchem-2275	238	39	.	.	PUNCT
eurjchem-2275	239	1	experimental	experimental	ADJ
eurjchem-2275	239	2	and	and	CCONJ
eurjchem-2275	239	3	computed	compute	VERB
eurjchem-2275	239	4	nmr	nmr	NOUN
eurjchem-2275	239	5	results	result	NOUN
eurjchem-2275	239	6	for	for	ADP
eurjchem-2275	239	7	this	this	DET
eurjchem-2275	239	8	sp3	sp3	NOUN
eurjchem-2275	239	9	c	c	NOUN
eurjchem-2275	239	10	atom	atom	NOUN
eurjchem-2275	239	11	at	at	ADP
eurjchem-2275	239	12	the	the	DET
eurjchem-2275	239	13	2	2	NUM
eurjchem-2275	239	14	-	-	PUNCT
eurjchem-2275	239	15	position	position	NOUN
eurjchem-2275	239	16	of	of	ADP
eurjchem-2275	239	17	the	the	DET
eurjchem-2275	239	18	propanoic	propanoic	ADJ
eurjchem-2275	239	19	acid	acid	NOUN
eurjchem-2275	239	20	fragment	fragment	NOUN
eurjchem-2275	239	21	reflect	reflect	VERB
eurjchem-2275	239	22	this	this	PRON
eurjchem-2275	239	23	,	,	PUNCT
eurjchem-2275	239	24	with	with	SCONJ
eurjchem-2275	239	25	the	the	DET
eurjchem-2275	239	26	c	c	PROPN
eurjchem-2275	239	27	atom	atom	NOUN
eurjchem-2275	239	28	δ	δ	PROPN
eurjchem-2275	239	29	40	40	NUM
eurjchem-2275	239	30	ppm	ppm	NOUN
eurjchem-2275	239	31	more	more	ADV
eurjchem-2275	239	32	deshielded	deshielde	VERB
eurjchem-2275	239	33	for	for	ADP
eurjchem-2275	239	34	beza	beza	NOUN
eurjchem-2275	239	35	,	,	PUNCT
eurjchem-2275	239	36	clo	clo	PROPN
eurjchem-2275	239	37	,	,	PUNCT
eurjchem-2275	239	38	and	and	CCONJ
eurjchem-2275	239	39	fen	fen	PROPN
eurjchem-2275	239	40	,	,	PUNCT
eurjchem-2275	239	41	where	where	SCONJ
eurjchem-2275	239	42	it	it	PRON
eurjchem-2275	239	43	is	be	AUX
eurjchem-2275	239	44	adjacent	adjacent	ADJ
eurjchem-2275	239	45	to	to	ADP
eurjchem-2275	239	46	a	a	DET
eurjchem-2275	239	47	phenoxy	phenoxy	ADJ
eurjchem-2275	239	48	o	o	NOUN
eurjchem-2275	239	49	atom	atom	NOUN
eurjchem-2275	239	50	,	,	PUNCT
eurjchem-2275	239	51	than	than	ADP
eurjchem-2275	239	52	for	for	ADP
eurjchem-2275	239	53	gem	gem	NOUN
eurjchem-2275	239	54	where	where	SCONJ
eurjchem-2275	239	55	it	it	PRON
eurjchem-2275	239	56	is	be	AUX
eurjchem-2275	239	57	adjacent	adjacent	ADJ
eurjchem-2275	239	58	to	to	ADP
eurjchem-2275	239	59	a	a	DET
eurjchem-2275	239	60	trimethylene	trimethylene	ADJ
eurjchem-2275	239	61	chain	chain	NOUN
eurjchem-2275	239	62	instead	instead	ADV
eurjchem-2275	239	63	.	.	PUNCT
eurjchem-2275	240	1	to	to	PART
eurjchem-2275	240	2	initiate	initiate	VERB
eurjchem-2275	240	3	an	an	DET
eurjchem-2275	240	4	early	early	ADJ
eurjchem-2275	240	5	elimination	elimination	NOUN
eurjchem-2275	240	6	step	step	NOUN
eurjchem-2275	240	7	in	in	ADP
eurjchem-2275	240	8	the	the	DET
eurjchem-2275	240	9	design	design	NOUN
eurjchem-2275	240	10	of	of	ADP
eurjchem-2275	240	11	molecules	molecule	NOUN
eurjchem-2275	240	12	,	,	PUNCT
eurjchem-2275	240	13	the	the	DET
eurjchem-2275	240	14	fibric	fibric	ADJ
eurjchem-2275	240	15	acids	acid	NOUN
eurjchem-2275	240	16	selected	select	VERB
eurjchem-2275	240	17	here	here	ADV
eurjchem-2275	240	18	will	will	AUX
eurjchem-2275	240	19	serve	serve	VERB
eurjchem-2275	240	20	as	as	ADP
eurjchem-2275	240	21	a	a	DET
eurjchem-2275	240	22	training	training	NOUN
eurjchem-2275	240	23	set	set	VERB
eurjchem-2275	240	24	to	to	PART
eurjchem-2275	240	25	benchmark	benchmark	VERB
eurjchem-2275	240	26	the	the	DET
eurjchem-2275	240	27	structural	structural	ADJ
eurjchem-2275	240	28	correlations	correlation	NOUN
eurjchem-2275	240	29	between	between	ADP
eurjchem-2275	240	30	theoretical	theoretical	ADJ
eurjchem-2275	240	31	and	and	CCONJ
eurjchem-2275	240	32	experimental	experimental	ADJ
eurjchem-2275	240	33	investigations	investigation	NOUN
eurjchem-2275	240	34	of	of	ADP
eurjchem-2275	240	35	the	the	DET
eurjchem-2275	240	36	phenoxy	phenoxy	PROPN
eurjchem-2275	240	37	and	and	CCONJ
eurjchem-2275	240	38	methyl	methyl	NOUN
eurjchem-2275	240	39	propanoic	propanoic	NOUN
eurjchem-2275	240	40	acid	acid	NOUN
eurjchem-2275	240	41	fragments	fragment	NOUN
eurjchem-2275	240	42	.	.	PUNCT
eurjchem-2275	241	1	furthermore	furthermore	ADV
eurjchem-2275	241	2	,	,	PUNCT
eurjchem-2275	241	3	the	the	DET
eurjchem-2275	241	4	methods	method	NOUN
eurjchem-2275	241	5	and	and	CCONJ
eurjchem-2275	241	6	the	the	DET
eurjchem-2275	241	7	steps	step	NOUN
eurjchem-2275	241	8	utilized	utilize	VERB
eurjchem-2275	241	9	reflect	reflect	VERB
eurjchem-2275	241	10	their	their	PRON
eurjchem-2275	241	11	validity	validity	NOUN
eurjchem-2275	241	12	for	for	ADP
eurjchem-2275	241	13	the	the	DET
eurjchem-2275	241	14	use	use	NOUN
eurjchem-2275	241	15	as	as	ADP
eurjchem-2275	241	16	the	the	DET
eurjchem-2275	241	17	training	training	NOUN
eurjchem-2275	241	18	set	set	NOUN
eurjchem-2275	241	19	.	.	PUNCT
eurjchem-2275	242	1	the	the	DET
eurjchem-2275	242	2	results	result	NOUN
eurjchem-2275	242	3	and	and	CCONJ
eurjchem-2275	242	4	the	the	DET
eurjchem-2275	242	5	strategy	strategy	NOUN
eurjchem-2275	242	6	may	may	AUX
eurjchem-2275	242	7	become	become	VERB
eurjchem-2275	242	8	useful	useful	ADJ
eurjchem-2275	242	9	in	in	ADP
eurjchem-2275	242	10	selectively	selectively	ADV
eurjchem-2275	242	11	choosing	choose	VERB
eurjchem-2275	242	12	only	only	ADV
eurjchem-2275	242	13	the	the	DET
eurjchem-2275	242	14	more	more	ADV
eurjchem-2275	242	15	promising	promising	ADJ
eurjchem-2275	242	16	scaffolds	scaffold	NOUN
eurjchem-2275	242	17	in	in	ADP
eurjchem-2275	242	18	order	order	NOUN
eurjchem-2275	242	19	to	to	PART
eurjchem-2275	242	20	construct	construct	VERB
eurjchem-2275	242	21	benchmark	benchmark	NOUN
eurjchem-2275	242	22	leads	lead	NOUN
eurjchem-2275	242	23	.	.	PUNCT
eurjchem-2275	243	1	since	since	SCONJ
eurjchem-2275	243	2	characterization	characterization	NOUN
eurjchem-2275	243	3	of	of	ADP
eurjchem-2275	243	4	compounds	compound	NOUN
eurjchem-2275	243	5	is	be	AUX
eurjchem-2275	243	6	a	a	DET
eurjchem-2275	243	7	necessary	necessary	ADJ
eurjchem-2275	243	8	step	step	NOUN
eurjchem-2275	243	9	and	and	CCONJ
eurjchem-2275	243	10	the	the	DET
eurjchem-2275	243	11	nmr	nmr	NOUN
eurjchem-2275	243	12	technique	technique	NOUN
eurjchem-2275	243	13	has	have	AUX
eurjchem-2275	243	14	been	be	AUX
eurjchem-2275	243	15	one	one	NUM
eurjchem-2275	243	16	of	of	ADP
eurjchem-2275	243	17	the	the	DET
eurjchem-2275	243	18	routine	routine	ADJ
eurjchem-2275	243	19	methods	method	NOUN
eurjchem-2275	243	20	in	in	ADP
eurjchem-2275	243	21	practice	practice	NOUN
eurjchem-2275	243	22	to	to	PART
eurjchem-2275	243	23	validate	validate	VERB
eurjchem-2275	243	24	the	the	DET
eurjchem-2275	243	25	identity	identity	NOUN
eurjchem-2275	243	26	of	of	ADP
eurjchem-2275	243	27	newly	newly	ADV
eurjchem-2275	243	28	generated	generate	VERB
eurjchem-2275	243	29	molecules	molecule	NOUN
eurjchem-2275	243	30	,	,	PUNCT
eurjchem-2275	243	31	the	the	DET
eurjchem-2275	243	32	comparison	comparison	NOUN
eurjchem-2275	243	33	of	of	ADP
eurjchem-2275	243	34	the	the	DET
eurjchem-2275	243	35	predicted	predict	VERB
eurjchem-2275	243	36	and	and	CCONJ
eurjchem-2275	243	37	experimental	experimental	ADJ
eurjchem-2275	243	38	spectra	spectra	NOUN
eurjchem-2275	243	39	will	will	AUX
eurjchem-2275	243	40	allow	allow	VERB
eurjchem-2275	243	41	recognition	recognition	NOUN
eurjchem-2275	243	42	of	of	ADP
eurjchem-2275	243	43	discrepancies	discrepancy	NOUN
eurjchem-2275	243	44	between	between	ADP
eurjchem-2275	243	45	them	they	PRON
eurjchem-2275	243	46	.	.	PUNCT
eurjchem-2275	244	1	5	5	X
eurjchem-2275	244	2	.	.	X
eurjchem-2275	244	3	conclusions	conclusion	NOUN
eurjchem-2275	244	4	all	all	DET
eurjchem-2275	244	5	fibric	fibric	ADJ
eurjchem-2275	244	6	acids	acid	NOUN
eurjchem-2275	244	7	have	have	VERB
eurjchem-2275	244	8	similarities	similarity	NOUN
eurjchem-2275	244	9	,	,	PUNCT
eurjchem-2275	244	10	but	but	CCONJ
eurjchem-2275	244	11	this	this	DET
eurjchem-2275	244	12	study	study	NOUN
eurjchem-2275	244	13	reveals	reveal	VERB
eurjchem-2275	244	14	their	their	PRON
eurjchem-2275	244	15	differences	difference	NOUN
eurjchem-2275	244	16	despite	despite	SCONJ
eurjchem-2275	244	17	the	the	DET
eurjchem-2275	244	18	common	common	ADJ
eurjchem-2275	244	19	fragments	fragment	NOUN
eurjchem-2275	244	20	that	that	PRON
eurjchem-2275	244	21	constitute	constitute	VERB
eurjchem-2275	244	22	them	they	PRON
eurjchem-2275	244	23	.	.	PUNCT
eurjchem-2275	245	1	most	most	ADV
eurjchem-2275	245	2	importantly	importantly	ADV
eurjchem-2275	245	3	,	,	PUNCT
eurjchem-2275	245	4	the	the	DET
eurjchem-2275	245	5	derivatives	derivative	NOUN
eurjchem-2275	245	6	containing	contain	VERB
eurjchem-2275	245	7	the	the	DET
eurjchem-2275	245	8	same	same	ADJ
eurjchem-2275	245	9	fragments	fragment	NOUN
eurjchem-2275	245	10	but	but	CCONJ
eurjchem-2275	245	11	different	different	ADJ
eurjchem-2275	245	12	connectivities	connectivity	NOUN
eurjchem-2275	245	13	show	show	VERB
eurjchem-2275	245	14	different	different	ADJ
eurjchem-2275	245	15	boltzmann	boltzmann	NOUN
eurjchem-2275	245	16	populations	population	NOUN
eurjchem-2275	245	17	of	of	ADP
eurjchem-2275	245	18	conformers	conformer	NOUN
eurjchem-2275	245	19	and	and	CCONJ
eurjchem-2275	245	20	hence	hence	ADV
eurjchem-2275	245	21	different	different	ADJ
eurjchem-2275	245	22	molecular	molecular	ADJ
eurjchem-2275	245	23	properties	property	NOUN
eurjchem-2275	245	24	,	,	PUNCT
eurjchem-2275	245	25	such	such	ADJ
eurjchem-2275	245	26	as	as	ADP
eurjchem-2275	245	27	whether	whether	SCONJ
eurjchem-2275	245	28	intramolecular	intramolecular	ADJ
eurjchem-2275	245	29	hydrogen	hydrogen	NOUN
eurjchem-2275	245	30	bonding	bonding	NOUN
eurjchem-2275	245	31	may	may	AUX
eurjchem-2275	245	32	occur	occur	VERB
eurjchem-2275	245	33	.	.	PUNCT
eurjchem-2275	246	1	for	for	ADP
eurjchem-2275	246	2	such	such	ADJ
eurjchem-2275	246	3	flexible	flexible	ADJ
eurjchem-2275	246	4	molecules	molecule	NOUN
eurjchem-2275	246	5	,	,	PUNCT
eurjchem-2275	246	6	populations	population	NOUN
eurjchem-2275	246	7	need	need	VERB
eurjchem-2275	246	8	to	to	PART
eurjchem-2275	246	9	be	be	AUX
eurjchem-2275	246	10	computed	compute	VERB
eurjchem-2275	246	11	from	from	ADP
eurjchem-2275	246	12	gibbs	gibbs	PROPN
eurjchem-2275	246	13	energies	energy	NOUN
eurjchem-2275	246	14	,	,	PUNCT
eurjchem-2275	246	15	not	not	PART
eurjchem-2275	246	16	optimized	optimize	VERB
eurjchem-2275	246	17	potential	potential	ADJ
eurjchem-2275	246	18	energies	energy	NOUN
eurjchem-2275	246	19	.	.	PUNCT
eurjchem-2275	247	1	correlation	correlation	NOUN
eurjchem-2275	247	2	between	between	ADP
eurjchem-2275	247	3	the	the	DET
eurjchem-2275	247	4	predicted	predict	VERB
eurjchem-2275	247	5	and	and	CCONJ
eurjchem-2275	247	6	experimental	experimental	ADJ
eurjchem-2275	247	7	nmr	nmr	NOUN
eurjchem-2275	247	8	chemical	chemical	NOUN
eurjchem-2275	247	9	shifts	shift	NOUN
eurjchem-2275	247	10	tends	tend	VERB
eurjchem-2275	247	11	to	to	PART
eurjchem-2275	247	12	deviate	deviate	VERB
eurjchem-2275	247	13	significantly	significantly	ADV
eurjchem-2275	247	14	when	when	SCONJ
eurjchem-2275	247	15	the	the	DET
eurjchem-2275	247	16	same	same	ADJ
eurjchem-2275	247	17	fragment	fragment	NOUN
eurjchem-2275	247	18	has	have	VERB
eurjchem-2275	247	19	different	different	ADJ
eurjchem-2275	247	20	chemical	chemical	NOUN
eurjchem-2275	247	21	connectivity	connectivity	NOUN
eurjchem-2275	247	22	as	as	SCONJ
eurjchem-2275	247	23	seen	see	VERB
eurjchem-2275	247	24	as	as	ADP
eurjchem-2275	247	25	in	in	ADP
eurjchem-2275	247	26	gem	gem	NOUN
eurjchem-2275	247	27	compared	compare	VERB
eurjchem-2275	247	28	to	to	ADP
eurjchem-2275	247	29	the	the	DET
eurjchem-2275	247	30	other	other	ADJ
eurjchem-2275	247	31	fibric	fibric	ADJ
eurjchem-2275	247	32	acid	acid	NOUN
eurjchem-2275	247	33	standards	standard	NOUN
eurjchem-2275	247	34	.	.	PUNCT
eurjchem-2275	248	1	differences	difference	NOUN
eurjchem-2275	248	2	in	in	ADP
eurjchem-2275	248	3	biological	biological	ADJ
eurjchem-2275	248	4	activity	activity	NOUN
eurjchem-2275	248	5	of	of	ADP
eurjchem-2275	248	6	the	the	DET
eurjchem-2275	248	7	individual	individual	ADJ
eurjchem-2275	248	8	fibric	fibric	ADJ
eurjchem-2275	248	9	acids	acid	NOUN
eurjchem-2275	248	10	may	may	AUX
eurjchem-2275	248	11	not	not	PART
eurjchem-2275	248	12	be	be	AUX
eurjchem-2275	248	13	reflected	reflect	VERB
eurjchem-2275	248	14	in	in	ADP
eurjchem-2275	248	15	that	that	PRON
eurjchem-2275	248	16	of	of	ADP
eurjchem-2275	248	17	their	their	PRON
eurjchem-2275	248	18	individual	individual	ADJ
eurjchem-2275	248	19	conformers	conformer	NOUN
eurjchem-2275	248	20	,	,	PUNCT
eurjchem-2275	248	21	since	since	SCONJ
eurjchem-2275	248	22	these	these	PRON
eurjchem-2275	248	23	are	be	AUX
eurjchem-2275	248	24	expected	expect	VERB
eurjchem-2275	248	25	to	to	PART
eurjchem-2275	248	26	interconvert	interconvert	VERB
eurjchem-2275	248	27	rapidly	rapidly	ADV
eurjchem-2275	248	28	to	to	PART
eurjchem-2275	248	29	maintain	maintain	VERB
eurjchem-2275	248	30	their	their	PRON
eurjchem-2275	248	31	equilibrium	equilibrium	NOUN
eurjchem-2275	248	32	populations	population	NOUN
eurjchem-2275	248	33	in	in	ADP
eurjchem-2275	248	34	vivo	vivo	NOUN
eurjchem-2275	248	35	as	as	ADV
eurjchem-2275	248	36	well	well	ADV
eurjchem-2275	248	37	as	as	ADP
eurjchem-2275	248	38	in	in	ADP
eurjchem-2275	248	39	vitro	vitro	X
eurjchem-2275	248	40	.	.	PUNCT
eurjchem-2275	249	1	acknowledgements	acknowledgement	NOUN
eurjchem-2275	249	2	we	we	PRON
eurjchem-2275	249	3	thank	thank	VERB
eurjchem-2275	249	4	ray	ray	PROPN
eurjchem-2275	249	5	hoff	hoff	PROPN
eurjchem-2275	249	6	for	for	ADP
eurjchem-2275	249	7	all	all	DET
eurjchem-2275	249	8	the	the	DET
eurjchem-2275	249	9	technical	technical	ADJ
eurjchem-2275	249	10	assistance	assistance	NOUN
eurjchem-2275	249	11	with	with	ADP
eurjchem-2275	249	12	the	the	DET
eurjchem-2275	249	13	nmr	nmr	NOUN
eurjchem-2275	249	14	studies	study	NOUN
eurjchem-2275	249	15	,	,	PUNCT
eurjchem-2275	249	16	dr	dr	PROPN
eurjchem-2275	249	17	.	.	PROPN
eurjchem-2275	249	18	matthias	matthias	PROPN
eurjchem-2275	249	19	zeller	zeller	PROPN
eurjchem-2275	249	20	for	for	ADP
eurjchem-2275	249	21	helpful	helpful	ADJ
eurjchem-2275	249	22	suggestions	suggestion	NOUN
eurjchem-2275	249	23	at	at	ADP
eurjchem-2275	249	24	the	the	DET
eurjchem-2275	249	25	initial	initial	ADJ
eurjchem-2275	249	26	stages	stage	NOUN
eurjchem-2275	249	27	of	of	ADP
eurjchem-2275	249	28	the	the	DET
eurjchem-2275	249	29	study	study	NOUN
eurjchem-2275	249	30	and	and	CCONJ
eurjchem-2275	249	31	the	the	DET
eurjchem-2275	249	32	ohio	ohio	PROPN
eurjchem-2275	249	33	supercomputer	supercomputer	NOUN
eurjchem-2275	249	34	center	center	NOUN
eurjchem-2275	249	35	for	for	ADP
eurjchem-2275	249	36	computing	computing	NOUN
eurjchem-2275	249	37	services	service	NOUN
eurjchem-2275	249	38	,	,	PUNCT
eurjchem-2275	249	39	access	access	NOUN
eurjchem-2275	249	40	to	to	ADP
eurjchem-2275	249	41	the	the	DET
eurjchem-2275	249	42	computing	computing	NOUN
eurjchem-2275	249	43	systems	system	NOUN
eurjchem-2275	249	44	,	,	PUNCT
eurjchem-2275	249	45	extended	extended	ADJ
eurjchem-2275	249	46	support	support	NOUN
eurjchem-2275	249	47	,	,	PUNCT
eurjchem-2275	249	48	and	and	CCONJ
eurjchem-2275	249	49	use	use	NOUN
eurjchem-2275	249	50	of	of	ADP
eurjchem-2275	249	51	the	the	DET
eurjchem-2275	249	52	facility	facility	NOUN
eurjchem-2275	249	53	.	.	PUNCT
eurjchem-2275	250	1	disclosure	disclosure	NOUN
eurjchem-2275	250	2	statement	statement	NOUN
eurjchem-2275	250	3	conflict	conflict	NOUN
eurjchem-2275	250	4	of	of	ADP
eurjchem-2275	250	5	interest	interest	NOUN
eurjchem-2275	250	6	:	:	PUNCT
eurjchem-2275	250	7	the	the	DET
eurjchem-2275	250	8	authors	author	NOUN
eurjchem-2275	250	9	declare	declare	VERB
eurjchem-2275	250	10	no	no	DET
eurjchem-2275	250	11	competing	compete	VERB
eurjchem-2275	250	12	financial	financial	ADJ
eurjchem-2275	250	13	interests	interest	NOUN
eurjchem-2275	250	14	.	.	PUNCT
eurjchem-2275	251	1	ethical	ethical	ADJ
eurjchem-2275	251	2	approval	approval	NOUN
eurjchem-2275	251	3	:	:	PUNCT
eurjchem-2275	252	1	all	all	DET
eurjchem-2275	252	2	ethical	ethical	ADJ
eurjchem-2275	252	3	guidelines	guideline	NOUN
eurjchem-2275	252	4	have	have	AUX
eurjchem-2275	252	5	been	be	AUX
eurjchem-2275	252	6	adhered	adhere	VERB
eurjchem-2275	252	7	.	.	PUNCT
eurjchem-2275	253	1	funding	fund	VERB
eurjchem-2275	253	2	this	this	DET
eurjchem-2275	253	3	work	work	NOUN
eurjchem-2275	253	4	is	be	AUX
eurjchem-2275	253	5	supported	support	VERB
eurjchem-2275	253	6	by	by	ADP
eurjchem-2275	253	7	grants	grant	NOUN
eurjchem-2275	253	8	from	from	ADP
eurjchem-2275	253	9	the	the	DET
eurjchem-2275	253	10	national	national	PROPN
eurjchem-2275	253	11	institute	institute	PROPN
eurjchem-2275	253	12	of	of	ADP
eurjchem-2275	253	13	diabetes	diabetes	NOUN
eurjchem-2275	253	14	and	and	CCONJ
eurjchem-2275	253	15	digestive	digestive	ADJ
eurjchem-2275	253	16	and	and	CCONJ
eurjchem-2275	253	17	kidney	kidney	NOUN
eurjchem-2275	253	18	diseases	disease	NOUN
eurjchem-2275	253	19	of	of	ADP
eurjchem-2275	253	20	the	the	DET
eurjchem-2275	253	21	national	national	PROPN
eurjchem-2275	253	22	institutes	institutes	PROPN
eurjchem-2275	253	23	of	of	ADP
eurjchem-2275	253	24	health	health	PROPN
eurjchem-2275	253	25	and	and	CCONJ
eurjchem-2275	253	26	from	from	ADP
eurjchem-2275	253	27	the	the	DET
eurjchem-2275	253	28	ohio	ohio	PROPN
eurjchem-2275	253	29	supercomputer	supercomputer	NOUN
eurjchem-2275	253	30	center	center	NOUN
eurjchem-2275	253	31	.	.	PUNCT
eurjchem-2275	254	1	credit	credit	NOUN
eurjchem-2275	254	2	authorship	authorship	NOUN
eurjchem-2275	254	3	contribution	contribution	NOUN
eurjchem-2275	254	4	statement	statement	NOUN
eurjchem-2275	254	5	all	all	DET
eurjchem-2275	254	6	the	the	DET
eurjchem-2275	254	7	authors	author	NOUN
eurjchem-2275	254	8	contributed	contribute	VERB
eurjchem-2275	254	9	to	to	ADP
eurjchem-2275	254	10	conceptualization	conceptualization	NOUN
eurjchem-2275	254	11	,	,	PUNCT
eurjchem-2275	254	12	methodology	methodology	NOUN
eurjchem-2275	254	13	,	,	PUNCT
eurjchem-2275	254	14	calculation	calculation	NOUN
eurjchem-2275	254	15	,	,	PUNCT
eurjchem-2275	254	16	validation	validation	NOUN
eurjchem-2275	254	17	,	,	PUNCT
eurjchem-2275	254	18	analysis	analysis	NOUN
eurjchem-2275	254	19	,	,	PUNCT
eurjchem-2275	254	20	investigation	investigation	NOUN
eurjchem-2275	254	21	,	,	PUNCT
eurjchem-2275	254	22	resources	resource	NOUN
eurjchem-2275	254	23	,	,	PUNCT
eurjchem-2275	254	24	data	datum	NOUN
eurjchem-2275	254	25	curation	curation	NOUN
eurjchem-2275	254	26	,	,	PUNCT
eurjchem-2275	254	27	and	and	CCONJ
eurjchem-2275	254	28	writing	writing	NOUN
eurjchem-2275	254	29	of	of	ADP
eurjchem-2275	254	30	this	this	DET
eurjchem-2275	254	31	study	study	NOUN
eurjchem-2275	254	32	.	.	PUNCT
eurjchem-2275	255	1	orcid	orcid	NOUN
eurjchem-2275	255	2	and	and	CCONJ
eurjchem-2275	255	3	email	email	NOUN
eurjchem-2275	255	4	chad	chad	PROPN
eurjchem-2275	255	5	miller	miller	PROPN
eurjchem-2275	255	6	cmiller@ysu.student.edu	cmiller@ysu.student.edu	PROPN
eurjchem-2275	256	1	https://orcid.org/0000-0002-2087-6566	https://orcid.org/0000-0002-2087-6566	PROPN
eurjchem-2275	256	2	steven	steven	PROPN
eurjchem-2275	256	3	schildcrout	schildcrout	PROPN
eurjchem-2275	256	4	smschildcrout@ysu.edu	smschildcrout@ysu.edu	PROPN
eurjchem-2275	257	1	https://orcid.org/0000-0002-7176-1726	https://orcid.org/0000-0002-7176-1726	PROPN
eurjchem-2275	257	2	howard	howard	PROPN
eurjchem-2275	257	3	mettee	mettee	PROPN
eurjchem-2275	258	1	hmettee2@hushmail.com	hmettee2@hushmail.com	X
eurjchem-2275	258	2	https://orcid.org/0000-0001-8210-8119	https://orcid.org/0000-0001-8210-8119	PROPN
eurjchem-2275	258	3	ganesaratnam	ganesaratnam	PROPN
eurjchem-2275	258	4	balendiran	balendiran	VERB
eurjchem-2275	258	5	pl_note@yahoo.com	pl_note@yahoo.com	PROPN
eurjchem-2275	259	1	gkbalendiran@ysu.edu	gkbalendiran@ysu.edu	PROPN
eurjchem-2275	259	2	https://orcid.org/0000-0003-4604-1038	https://orcid.org/0000-0003-4604-1038	VERB
eurjchem-2275	259	3	mailto:cmiller@ysu.student.edu	mailto:cmiller@ysu.student.edu	PROPN
eurjchem-2275	259	4	https://orcid.org/0000-0002-2087-6566	https://orcid.org/0000-0002-2087-6566	PROPN
eurjchem-2275	259	5	mailto:smschildcrout@ysu.edu	mailto:smschildcrout@ysu.edu	PROPN
eurjchem-2275	259	6	https://orcid.org/0000-0002-7176-1726	https://orcid.org/0000-0002-7176-1726	NOUN
eurjchem-2275	259	7	mailto:hmettee2@hushmail.com	mailto:hmettee2@hushmail.com	X
eurjchem-2275	259	8	https://orcid.org/0000-0001-8210-8119	https://orcid.org/0000-0001-8210-8119	PROPN
eurjchem-2275	259	9	mailto:pl_note@yahoo.com	mailto:pl_note@yahoo.com	PROPN
eurjchem-2275	259	10	mailto:gkbalendiran@ysu.edu	mailto:gkbalendiran@ysu.edu	PROPN
eurjchem-2275	259	11	https://orcid.org/0000-0003-4604-1038	https://orcid.org/0000-0003-4604-1038	VERB
eurjchem-2275	259	12	miller	miller	PROPN
eurjchem-2275	259	13	et	et	PROPN
eurjchem-2275	259	14	al	al	PROPN
eurjchem-2275	259	15	.	.	PUNCT
eurjchem-2275	259	16	/	/	SYM
eurjchem-2275	259	17	european	european	PROPN
eurjchem-2275	259	18	journal	journal	PROPN
eurjchem-2275	259	19	of	of	ADP
eurjchem-2275	259	20	chemistry	chemistry	NOUN
eurjchem-2275	259	21	13	13	NUM
eurjchem-2275	259	22	(	(	PUNCT
eurjchem-2275	259	23	2	2	NUM
eurjchem-2275	259	24	)	)	PUNCT
eurjchem-2275	259	25	(	(	PUNCT
eurjchem-2275	259	26	2022	2022	NUM
eurjchem-2275	259	27	)	)	PUNCT
eurjchem-2275	259	28	186	186	NUM
eurjchem-2275	259	29	-	-	SYM
eurjchem-2275	259	30	195	195	NUM
eurjchem-2275	259	31	195	195	NUM
eurjchem-2275	259	32	2022	2022	NUM
eurjchem-2275	259	33	–	–	PUNCT
eurjchem-2275	259	34	european	european	ADJ
eurjchem-2275	259	35	journal	journal	NOUN
eurjchem-2275	259	36	of	of	ADP
eurjchem-2275	259	37	chemistry	chemistry	NOUN
eurjchem-2275	259	38	–	–	PUNCT
eurjchem-2275	259	39	cc	cc	NOUN
eurjchem-2275	259	40	by	by	ADP
eurjchem-2275	259	41	nc	nc	PROPN
eurjchem-2275	259	42	–	–	PUNCT
eurjchem-2275	259	43	doi	doi	NOUN
eurjchem-2275	259	44	:	:	PUNCT
eurjchem-2275	259	45	10.5155	10.5155	NUM
eurjchem-2275	259	46	/	/	SYM
eurjchem-2275	259	47	eurjchem.13.2.186	eurjchem.13.2.186	PROPN
eurjchem-2275	259	48	-	-	SYM
eurjchem-2275	259	49	195.2275	195.2275	NUM
eurjchem-2275	259	50	references	reference	NOUN
eurjchem-2275	259	51	[	[	X
eurjchem-2275	259	52	1	1	NUM
eurjchem-2275	259	53	]	]	PUNCT
eurjchem-2275	259	54	.	.	PUNCT
eurjchem-2275	260	1	gund	gund	PROPN
eurjchem-2275	260	2	,	,	PUNCT
eurjchem-2275	260	3	p.	p.	PROPN
eurjchem-2275	260	4	;	;	PUNCT
eurjchem-2275	260	5	andose	andose	PROPN
eurjchem-2275	260	6	,	,	PUNCT
eurjchem-2275	260	7	j.	j.	PROPN
eurjchem-2275	260	8	d.	d.	PROPN
eurjchem-2275	260	9	;	;	PUNCT
eurjchem-2275	260	10	rhodes	rhodes	PROPN
eurjchem-2275	260	11	,	,	PUNCT
eurjchem-2275	260	12	j.	j.	PROPN
eurjchem-2275	260	13	b.	b.	PROPN
eurjchem-2275	260	14	;	;	PUNCT
eurjchem-2275	260	15	smith	smith	PROPN
eurjchem-2275	260	16	,	,	PUNCT
eurjchem-2275	260	17	g.	g.	PROPN
eurjchem-2275	260	18	m.	m.	PROPN
eurjchem-2275	261	1	three	three	NUM
eurjchem-2275	261	2	-	-	PUNCT
eurjchem-2275	261	3	dimensional	dimensional	ADJ
eurjchem-2275	261	4	molecular	molecular	ADJ
eurjchem-2275	261	5	modeling	modeling	NOUN
eurjchem-2275	261	6	and	and	CCONJ
eurjchem-2275	261	7	drug	drug	NOUN
eurjchem-2275	261	8	design	design	NOUN
eurjchem-2275	261	9	.	.	PUNCT
eurjchem-2275	262	1	science	science	NOUN
eurjchem-2275	262	2	1980	1980	NUM
eurjchem-2275	262	3	,	,	PUNCT
eurjchem-2275	262	4	208	208	NUM
eurjchem-2275	262	5	,	,	PUNCT
eurjchem-2275	262	6	1425–1431	1425–1431	NUM
eurjchem-2275	262	7	.	.	PUNCT
eurjchem-2275	263	1	[	[	X
eurjchem-2275	263	2	2	2	NUM
eurjchem-2275	263	3	]	]	PUNCT
eurjchem-2275	263	4	.	.	PUNCT
eurjchem-2275	264	1	sicho	sicho	NOUN
eurjchem-2275	264	2	,	,	PUNCT
eurjchem-2275	264	3	m.	m.	NOUN
eurjchem-2275	264	4	;	;	PUNCT
eurjchem-2275	264	5	liu	liu	PROPN
eurjchem-2275	264	6	,	,	PUNCT
eurjchem-2275	264	7	x.	x.	PROPN
eurjchem-2275	264	8	;	;	PUNCT
eurjchem-2275	264	9	svozil	svozil	NOUN
eurjchem-2275	264	10	,	,	PUNCT
eurjchem-2275	264	11	d.	d.	PROPN
eurjchem-2275	264	12	;	;	PUNCT
eurjchem-2275	264	13	van	van	PROPN
eurjchem-2275	264	14	westen	westen	NOUN
eurjchem-2275	264	15	,	,	PUNCT
eurjchem-2275	265	1	g.	g.	PROPN
eurjchem-2275	265	2	j.	j.	PROPN
eurjchem-2275	265	3	p.	p.	PROPN
eurjchem-2275	265	4	genui	genui	PROPN
eurjchem-2275	265	5	:	:	PUNCT
eurjchem-2275	265	6	interactive	interactive	ADJ
eurjchem-2275	265	7	and	and	CCONJ
eurjchem-2275	265	8	extensible	extensible	ADJ
eurjchem-2275	265	9	open	open	ADJ
eurjchem-2275	265	10	source	source	NOUN
eurjchem-2275	265	11	software	software	NOUN
eurjchem-2275	265	12	platform	platform	NOUN
eurjchem-2275	265	13	for	for	ADP
eurjchem-2275	265	14	de	de	X
eurjchem-2275	265	15	novo	novo	NOUN
eurjchem-2275	265	16	molecular	molecular	ADJ
eurjchem-2275	265	17	generation	generation	NOUN
eurjchem-2275	265	18	and	and	CCONJ
eurjchem-2275	265	19	cheminformatics	cheminformatic	NOUN
eurjchem-2275	265	20	.	.	PUNCT
eurjchem-2275	266	1	j.	j.	PROPN
eurjchem-2275	266	2	cheminform	cheminform	PROPN
eurjchem-2275	266	3	.	.	PUNCT
eurjchem-2275	267	1	2021	2021	NUM
eurjchem-2275	267	2	,	,	PUNCT
eurjchem-2275	267	3	13	13	NUM
eurjchem-2275	267	4	,	,	PUNCT
eurjchem-2275	267	5	1758	1758	NUM
eurjchem-2275	267	6	–	–	PUNCT
eurjchem-2275	267	7	2946	2946	NUM
eurjchem-2275	267	8	.	.	PUNCT
eurjchem-2275	268	1	[	[	X
eurjchem-2275	268	2	3	3	NUM
eurjchem-2275	268	3	]	]	PUNCT
eurjchem-2275	268	4	.	.	PUNCT
eurjchem-2275	269	1	balendiran	balendiran	NOUN
eurjchem-2275	269	2	,	,	PUNCT
eurjchem-2275	269	3	g.	g.	PROPN
eurjchem-2275	269	4	k.	k.	PROPN
eurjchem-2275	269	5	;	;	PUNCT
eurjchem-2275	270	1	balakrishnan	balakrishnan	PROPN
eurjchem-2275	270	2	,	,	PUNCT
eurjchem-2275	270	3	r.	r.	PROPN
eurjchem-2275	270	4	in	in	ADP
eurjchem-2275	270	5	search	search	NOUN
eurjchem-2275	270	6	of	of	ADP
eurjchem-2275	270	7	aldose	aldose	ADJ
eurjchem-2275	270	8	reductase	reductase	NOUN
eurjchem-2275	270	9	inhibitors	inhibitor	NOUN
eurjchem-2275	270	10	;	;	PUNCT
eurjchem-2275	270	11	vol	vol	NOUN
eurjchem-2275	270	12	.	.	PROPN
eurjchem-2275	270	13	12	12	NUM
eurjchem-2275	270	14	,	,	PUNCT
eurjchem-2275	270	15	p	p	VERB
eurjchem-2275	270	16	276	276	NUM
eurjchem-2275	270	17	-	-	SYM
eurjchem-2275	270	18	283	283	NUM
eurjchem-2275	270	19	,	,	PUNCT
eurjchem-2275	270	20	isbn	isbn	ADJ
eurjchem-2275	270	21	9781557533845	9781557533845	NUM
eurjchem-2275	270	22	.	.	PUNCT
eurjchem-2275	271	1	purdue	purdue	PROPN
eurjchem-2275	271	2	university	university	PROPN
eurjchem-2275	271	3	press	press	NOUN
eurjchem-2275	271	4	:	:	PUNCT
eurjchem-2275	271	5	west	west	PROPN
eurjchem-2275	271	6	lafayette	lafayette	PROPN
eurjchem-2275	271	7	,	,	PUNCT
eurjchem-2275	271	8	in	in	ADP
eurjchem-2275	271	9	,	,	PUNCT
eurjchem-2275	271	10	2004	2004	NUM
eurjchem-2275	271	11	.	.	PUNCT
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eurjchem-2275	272	3	accessed	access	VERB
eurjchem-2275	272	4	april	april	PROPN
eurjchem-2275	272	5	10	10	NUM
eurjchem-2275	272	6	,	,	PUNCT
eurjchem-2275	272	7	2022	2022	NUM
eurjchem-2275	272	8	)	)	PUNCT
eurjchem-2275	273	1	[	[	X
eurjchem-2275	273	2	4	4	NUM
eurjchem-2275	273	3	]	]	PUNCT
eurjchem-2275	273	4	.	.	PUNCT
eurjchem-2275	273	5	balendiran	balendiran	NOUN
eurjchem-2275	273	6	,	,	PUNCT
eurjchem-2275	273	7	g.	g.	PROPN
eurjchem-2275	273	8	k.	k.	PROPN
eurjchem-2275	273	9	;	;	PUNCT
eurjchem-2275	274	1	balakrishnan	balakrishnan	PROPN
eurjchem-2275	274	2	,	,	PUNCT
eurjchem-2275	274	3	r.	r.	PROPN
eurjchem-2275	274	4	fibrates	fibrate	VERB
eurjchem-2275	274	5	inhibit	inhibit	VERB
eurjchem-2275	274	6	aldose	aldose	DET
eurjchem-2275	274	7	reductase	reductase	NOUN
eurjchem-2275	274	8	activity	activity	NOUN
eurjchem-2275	274	9	in	in	ADP
eurjchem-2275	274	10	the	the	DET
eurjchem-2275	274	11	forward	forward	ADJ
eurjchem-2275	274	12	and	and	CCONJ
eurjchem-2275	274	13	reverse	reverse	ADJ
eurjchem-2275	274	14	reactions	reaction	NOUN
eurjchem-2275	274	15	.	.	PUNCT
eurjchem-2275	275	1	biochem	biochem	PROPN
eurjchem-2275	275	2	.	.	PUNCT
eurjchem-2275	276	1	pharmacol	pharmacol	PROPN
eurjchem-2275	276	2	.	.	PROPN
eurjchem-2275	277	1	2005	2005	NUM
eurjchem-2275	277	2	,	,	PUNCT
eurjchem-2275	277	3	70	70	NUM
eurjchem-2275	277	4	,	,	PUNCT
eurjchem-2275	277	5	1653–1663	1653–1663	NUM
eurjchem-2275	277	6	.	.	PUNCT
eurjchem-2275	278	1	[	[	X
eurjchem-2275	278	2	5	5	NUM
eurjchem-2275	278	3	]	]	PUNCT
eurjchem-2275	278	4	.	.	PUNCT
eurjchem-2275	279	1	klemin	klemin	PROPN
eurjchem-2275	279	2	,	,	PUNCT
eurjchem-2275	279	3	s.	s.	PROPN
eurjchem-2275	279	4	;	;	PUNCT
eurjchem-2275	279	5	calvo	calvo	PROPN
eurjchem-2275	279	6	,	,	PUNCT
eurjchem-2275	279	7	r.	r.	PROPN
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eurjchem-2275	279	16	h.	h.	PROPN
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eurjchem-2275	279	18	rajkumar	rajkumar	PROPN
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eurjchem-2275	279	20	b.	b.	PROPN
eurjchem-2275	279	21	;	;	PUNCT
eurjchem-2275	279	22	perez	perez	PROPN
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eurjchem-2275	279	25	;	;	PUNCT
eurjchem-2275	279	26	chow	chow	PROPN
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eurjchem-2275	279	41	.	.	PUNCT
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eurjchem-2275	282	2	,	,	PUNCT
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eurjchem-2275	282	4	,	,	PUNCT
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eurjchem-2275	282	6	.	.	PUNCT
eurjchem-2275	283	1	[	[	X
eurjchem-2275	283	2	6	6	NUM
eurjchem-2275	283	3	]	]	PUNCT
eurjchem-2275	283	4	.	.	PUNCT
eurjchem-2275	284	1	balendiran	balendiran	PROPN
eurjchem-2275	284	2	,	,	PUNCT
eurjchem-2275	284	3	g.	g.	PROPN
eurjchem-2275	284	4	;	;	PUNCT
eurjchem-2275	284	5	verma	verma	PROPN
eurjchem-2275	284	6	,	,	PUNCT
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eurjchem-2275	284	8	;	;	PUNCT
eurjchem-2275	284	9	perry	perry	PROPN
eurjchem-2275	284	10	,	,	PUNCT
eurjchem-2275	284	11	e.	e.	PROPN
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eurjchem-2275	284	15	.	.	PUNCT
eurjchem-2275	285	1	curr	curr	PROPN
eurjchem-2275	285	2	.	.	PUNCT
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eurjchem-2275	285	4	.	.	PUNCT
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eurjchem-2275	286	2	.	.	PUNCT
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eurjchem-2275	287	2	,	,	PUNCT
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eurjchem-2275	287	4	,	,	PUNCT
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eurjchem-2275	287	6	.	.	PUNCT
eurjchem-2275	288	1	[	[	X
eurjchem-2275	288	2	7	7	NUM
eurjchem-2275	288	3	]	]	PUNCT
eurjchem-2275	288	4	.	.	PUNCT
eurjchem-2275	288	5	balendiran	balendiran	NOUN
eurjchem-2275	288	6	,	,	PUNCT
eurjchem-2275	288	7	g.	g.	PROPN
eurjchem-2275	288	8	k.	k.	PROPN
eurjchem-2275	288	9	;	;	PUNCT
eurjchem-2275	288	10	verma	verma	PROPN
eurjchem-2275	288	11	,	,	PUNCT
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eurjchem-2275	288	13	;	;	PUNCT
eurjchem-2275	288	14	bharadwaj	bharadwaj	PROPN
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eurjchem-2275	288	26	;	;	PUNCT
eurjchem-2275	288	27	vol	vol	NOUN
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eurjchem-2275	288	30	,	,	PUNCT
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eurjchem-2275	288	40	-	-	SYM
eurjchem-2275	288	41	447	447	NUM
eurjchem-2275	288	42	-	-	SYM
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eurjchem-2275	288	44	.	.	PUNCT
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eurjchem-2275	289	6	,	,	PUNCT
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eurjchem-2275	290	1	[	[	X
eurjchem-2275	290	2	8	8	NUM
eurjchem-2275	290	3	]	]	PUNCT
eurjchem-2275	290	4	.	.	PUNCT
eurjchem-2275	291	1	verma	verma	PROPN
eurjchem-2275	291	2	,	,	PUNCT
eurjchem-2275	291	3	m.	m.	NOUN
eurjchem-2275	291	4	;	;	PUNCT
eurjchem-2275	291	5	martin	martin	PROPN
eurjchem-2275	291	6	,	,	PUNCT
eurjchem-2275	291	7	h.-j	h.-j	PROPN
eurjchem-2275	291	8	.	.	PUNCT
eurjchem-2275	291	9	;	;	PUNCT
eurjchem-2275	291	10	haq	haq	PROPN
eurjchem-2275	291	11	,	,	PUNCT
eurjchem-2275	291	12	w.	w.	PROPN
eurjchem-2275	291	13	;	;	PUNCT
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eurjchem-2275	291	15	,	,	PUNCT
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eurjchem-2275	291	18	;	;	PUNCT
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eurjchem-2275	291	20	,	,	PUNCT
eurjchem-2275	291	21	e.	e.	PROPN
eurjchem-2275	291	22	;	;	PUNCT
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eurjchem-2275	291	24	,	,	PUNCT
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eurjchem-2275	292	1	inhibiting	inhibit	VERB
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eurjchem-2275	292	9	;	;	PUNCT
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eurjchem-2275	292	18	.	.	PUNCT
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eurjchem-2275	294	1	j.	j.	PROPN
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eurjchem-2275	294	3	.	.	PUNCT
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eurjchem-2275	294	5	,	,	PUNCT
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eurjchem-2275	294	7	,	,	PUNCT
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eurjchem-2275	294	9	.	.	PUNCT
eurjchem-2275	295	1	[	[	X
eurjchem-2275	295	2	9	9	NUM
eurjchem-2275	295	3	]	]	PUNCT
eurjchem-2275	295	4	.	.	PUNCT
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eurjchem-2275	296	2	,	,	PUNCT
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eurjchem-2275	296	4	;	;	PUNCT
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eurjchem-2275	296	6	,	,	PUNCT
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eurjchem-2275	296	9	;	;	PUNCT
eurjchem-2275	296	10	krylov	krylov	NOUN
eurjchem-2275	296	11	,	,	PUNCT
eurjchem-2275	296	12	a.	a.	NOUN
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eurjchem-2275	296	14	;	;	PUNCT
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eurjchem-2275	296	17	d.	d.	PROPN
eurjchem-2275	296	18	;	;	PUNCT
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eurjchem-2275	296	21	r.	r.	PROPN
eurjchem-2275	296	22	d.	d.	PROPN
eurjchem-2275	296	23	;	;	PUNCT
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eurjchem-2275	296	25	,	,	PUNCT
eurjchem-2275	296	26	t.	t.	PROPN
eurjchem-2275	296	27	r.	r.	PROPN
eurjchem-2275	296	28	;	;	PUNCT
eurjchem-2275	296	29	lee	lee	PROPN
eurjchem-2275	296	30	,	,	PUNCT
eurjchem-2275	296	31	m.	m.	PROPN
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eurjchem-2275	296	33	;	;	PUNCT
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eurjchem-2275	296	36	a.	a.	NOUN
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eurjchem-2275	296	41	s.	s.	PROPN
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eurjchem-2275	296	43	;	;	PUNCT
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eurjchem-2275	296	48	;	;	PUNCT
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eurjchem-2275	296	50	,	,	PUNCT
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eurjchem-2275	296	52	;	;	PUNCT
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eurjchem-2275	296	94	j.	j.	PROPN
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eurjchem-2275	296	100	;	;	PUNCT
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eurjchem-2275	296	103	w.	w.	PROPN
eurjchem-2275	296	104	;	;	PUNCT
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eurjchem-2275	296	106	,	,	PUNCT
eurjchem-2275	297	1	p.	p.	PROPN
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eurjchem-2275	297	3	;	;	PUNCT
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eurjchem-2275	298	4	;	;	PUNCT
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eurjchem-2275	298	10	;	;	PUNCT
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eurjchem-2275	298	13	,	,	PUNCT
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eurjchem-2275	298	15	;	;	PUNCT
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eurjchem-2275	298	17	,	,	PUNCT
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eurjchem-2275	298	19	;	;	PUNCT
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eurjchem-2275	298	23	;	;	PUNCT
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eurjchem-2275	298	26	c.-p	c.-p	PROPN
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eurjchem-2275	298	28	;	;	PUNCT
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eurjchem-2275	298	36	;	;	PUNCT
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eurjchem-2275	298	38	,	,	PUNCT
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eurjchem-2275	298	40	;	;	PUNCT
eurjchem-2275	298	41	johnson	johnson	PROPN
eurjchem-2275	298	42	,	,	PUNCT
eurjchem-2275	298	43	b.	b.	PROPN
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eurjchem-2275	298	45	;	;	PUNCT
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eurjchem-2275	298	47	,	,	PUNCT
eurjchem-2275	298	48	p.	p.	PROPN
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eurjchem-2275	298	51	;	;	PUNCT
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eurjchem-2275	298	59	,	,	PUNCT
eurjchem-2275	299	1	j.	j.	PROPN
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eurjchem-2275	299	4	-	-	PUNCT
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eurjchem-2275	314	4	;	;	PUNCT
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eurjchem-2275	324	193	kitao	kitao	PROPN
eurjchem-2275	324	194	,	,	PUNCT
eurjchem-2275	324	195	o.	o.	PROPN
eurjchem-2275	324	196	;	;	PUNCT
eurjchem-2275	324	197	nakai	nakai	PROPN
eurjchem-2275	324	198	,	,	PUNCT
eurjchem-2275	324	199	h.	h.	PROPN
eurjchem-2275	324	200	;	;	PUNCT
eurjchem-2275	324	201	vreven	vreven	VERB
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eurjchem-2275	324	203	t.	t.	PROPN
eurjchem-2275	324	204	;	;	PUNCT
eurjchem-2275	324	205	throssell	throssell	NOUN
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eurjchem-2275	324	207	k.	k.	PROPN
eurjchem-2275	324	208	;	;	PUNCT
eurjchem-2275	324	209	montgomery	montgomery	PROPN
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eurjchem-2275	324	211	j.	j.	PROPN
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eurjchem-2275	324	214	;	;	PUNCT
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eurjchem-2275	324	217	j.	j.	PROPN
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eurjchem-2275	324	219	;	;	PUNCT
eurjchem-2275	324	220	ogliaro	ogliaro	PROPN
eurjchem-2275	324	221	,	,	PUNCT
eurjchem-2275	324	222	f.	f.	PROPN
eurjchem-2275	324	223	;	;	PUNCT
eurjchem-2275	324	224	bearpark	bearpark	PROPN
eurjchem-2275	324	225	,	,	PUNCT
eurjchem-2275	324	226	m.	m.	NOUN
eurjchem-2275	324	227	j.	j.	PROPN
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eurjchem-2275	324	229	heyd	heyd	PROPN
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eurjchem-2275	324	231	j.	j.	PROPN
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eurjchem-2275	324	236	e.	e.	PROPN
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eurjchem-2275	324	238	;	;	PUNCT
eurjchem-2275	324	239	kudin	kudin	PROPN
eurjchem-2275	324	240	,	,	PUNCT
eurjchem-2275	324	241	k.	k.	PROPN
eurjchem-2275	324	242	n.	n.	PROPN
eurjchem-2275	324	243	;	;	PUNCT
eurjchem-2275	324	244	staroverov	staroverov	X
eurjchem-2275	324	245	,	,	PUNCT
eurjchem-2275	324	246	v.	v.	ADP
eurjchem-2275	324	247	n.	n.	NOUN
eurjchem-2275	324	248	;	;	PUNCT
eurjchem-2275	324	249	keith	keith	PROPN
eurjchem-2275	324	250	,	,	PUNCT
eurjchem-2275	324	251	t.	t.	PROPN
eurjchem-2275	324	252	a.	a.	PROPN
eurjchem-2275	324	253	;	;	PUNCT
eurjchem-2275	324	254	kobayashi	kobayashi	PROPN
eurjchem-2275	324	255	,	,	PUNCT
eurjchem-2275	324	256	r.	r.	PROPN
eurjchem-2275	324	257	;	;	PUNCT
eurjchem-2275	324	258	normand	normand	PROPN
eurjchem-2275	324	259	,	,	PUNCT
eurjchem-2275	324	260	j.	j.	PROPN
eurjchem-2275	324	261	;	;	PUNCT
eurjchem-2275	324	262	raghavachari	raghavachari	PROPN
eurjchem-2275	324	263	,	,	PUNCT
eurjchem-2275	324	264	k.	k.	PROPN
eurjchem-2275	324	265	;	;	PUNCT
eurjchem-2275	324	266	rendell	rendell	PROPN
eurjchem-2275	324	267	,	,	PUNCT
eurjchem-2275	324	268	a.	a.	NOUN
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eurjchem-2275	324	270	;	;	PUNCT
eurjchem-2275	324	271	burant	burant	PROPN
eurjchem-2275	324	272	,	,	PUNCT
eurjchem-2275	324	273	j.	j.	PROPN
eurjchem-2275	324	274	c.	c.	PROPN
eurjchem-2275	324	275	;	;	PUNCT
eurjchem-2275	324	276	iyengar	iyengar	PROPN
eurjchem-2275	324	277	,	,	PUNCT
eurjchem-2275	324	278	s.	s.	PROPN
eurjchem-2275	324	279	s.	s.	PROPN
eurjchem-2275	324	280	;	;	PUNCT
eurjchem-2275	324	281	tomasi	tomasi	PROPN
eurjchem-2275	324	282	,	,	PUNCT
eurjchem-2275	324	283	j.	j.	PROPN
eurjchem-2275	324	284	;	;	PUNCT
eurjchem-2275	324	285	cossi	cossi	PROPN
eurjchem-2275	324	286	,	,	PUNCT
eurjchem-2275	324	287	m.	m.	NOUN
eurjchem-2275	324	288	;	;	PUNCT
eurjchem-2275	324	289	millam	millam	PROPN
eurjchem-2275	324	290	,	,	PUNCT
eurjchem-2275	324	291	j.	j.	PROPN
eurjchem-2275	324	292	m.	m.	PROPN
eurjchem-2275	324	293	;	;	PUNCT
eurjchem-2275	324	294	klene	klene	PROPN
eurjchem-2275	324	295	,	,	PUNCT
eurjchem-2275	324	296	m.	m.	NOUN
eurjchem-2275	324	297	;	;	PUNCT
eurjchem-2275	324	298	adamo	adamo	PROPN
eurjchem-2275	324	299	,	,	PUNCT
eurjchem-2275	324	300	c.	c.	PROPN
eurjchem-2275	324	301	;	;	PUNCT
eurjchem-2275	324	302	cammi	cammi	PROPN
eurjchem-2275	324	303	,	,	PUNCT
eurjchem-2275	324	304	r.	r.	PROPN
eurjchem-2275	324	305	;	;	PUNCT
eurjchem-2275	324	306	ochterski	ochterski	PROPN
eurjchem-2275	324	307	,	,	PUNCT
eurjchem-2275	324	308	j.	j.	PROPN
eurjchem-2275	324	309	w.	w.	PROPN
eurjchem-2275	324	310	;	;	PUNCT
eurjchem-2275	324	311	martin	martin	PROPN
eurjchem-2275	324	312	,	,	PUNCT
eurjchem-2275	324	313	r.	r.	PROPN
eurjchem-2275	324	314	l.	l.	PROPN
eurjchem-2275	324	315	;	;	PUNCT
eurjchem-2275	324	316	morokuma	morokuma	PROPN
eurjchem-2275	324	317	,	,	PUNCT
eurjchem-2275	324	318	k.	k.	PROPN
eurjchem-2275	324	319	;	;	PUNCT
eurjchem-2275	324	320	farkas	farkas	PROPN
eurjchem-2275	324	321	,	,	PUNCT
eurjchem-2275	324	322	o.	o.	PROPN
eurjchem-2275	324	323	;	;	PUNCT
eurjchem-2275	324	324	foresman	foresman	PROPN
eurjchem-2275	324	325	,	,	PUNCT
eurjchem-2275	324	326	j.	j.	PROPN
eurjchem-2275	324	327	b.	b.	PROPN
eurjchem-2275	324	328	;	;	PUNCT
eurjchem-2275	324	329	fox	fox	PROPN
eurjchem-2275	324	330	,	,	PUNCT
eurjchem-2275	324	331	d.	d.	PROPN
eurjchem-2275	324	332	j.	j.	PROPN
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eurjchem-2275	324	335	,	,	PUNCT
eurjchem-2275	324	336	revision	revision	NOUN
eurjchem-2275	324	337	c.01	c.01	PROPN
eurjchem-2275	324	338	,	,	PUNCT
eurjchem-2275	324	339	gaussian	gaussian	PROPN
eurjchem-2275	324	340	,	,	PUNCT
eurjchem-2275	324	341	inc	inc	PROPN
eurjchem-2275	324	342	.	.	PROPN
eurjchem-2275	324	343	:	:	PUNCT
eurjchem-2275	324	344	wallingford	wallingford	PROPN
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eurjchem-2275	324	346	,	,	PUNCT
eurjchem-2275	324	347	2019	2019	NUM
eurjchem-2275	324	348	.	.	PUNCT
eurjchem-2275	325	1	[	[	X
eurjchem-2275	325	2	16	16	NUM
eurjchem-2275	325	3	]	]	PUNCT
eurjchem-2275	325	4	.	.	PUNCT
eurjchem-2275	326	1	ohio	ohio	PROPN
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eurjchem-2275	326	3	center	center	NOUN
eurjchem-2275	326	4	.	.	PUNCT
eurjchem-2275	327	1	1987	1987	NUM
eurjchem-2275	327	2	.	.	PUNCT
eurjchem-2275	328	1	columbus	columbus	PROPN
eurjchem-2275	329	1	oh	oh	INTJ
eurjchem-2275	329	2	:	:	PUNCT
eurjchem-2275	329	3	ohio	ohio	PROPN
eurjchem-2275	329	4	supercomputer	supercomputer	NOUN
eurjchem-2275	329	5	center	center	NOUN
eurjchem-2275	329	6	.	.	PUNCT
eurjchem-2275	330	1	http://osc.edu/ark:/19495/f5s1ph73	http://osc.edu/ark:/19495/f5s1ph73	PROPN
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eurjchem-2275	330	6	,	,	PUNCT
eurjchem-2275	330	7	2022	2022	NUM
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eurjchem-2275	330	9	.	.	PUNCT
eurjchem-2275	331	1	[	[	X
eurjchem-2275	331	2	17	17	NUM
eurjchem-2275	331	3	]	]	PUNCT
eurjchem-2275	331	4	.	.	PUNCT
eurjchem-2275	332	1	stringfellow	stringfellow	PROPN
eurjchem-2275	332	2	,	,	PUNCT
eurjchem-2275	332	3	t.	t.	PROPN
eurjchem-2275	332	4	c.	c.	PROPN
eurjchem-2275	332	5	;	;	PUNCT
eurjchem-2275	332	6	c.	c.	PROPN
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eurjchem-2275	332	8	,	,	PUNCT
eurjchem-2275	332	9	t.	t.	PROPN
eurjchem-2275	332	10	nmr	nmr	NOUN
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eurjchem-2275	332	17	.	.	PUNCT
eurjchem-2275	333	1	spectrochim	spectrochim	PROPN
eurjchem-2275	333	2	.	.	PUNCT
eurjchem-2275	334	1	acta	acta	PROPN
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eurjchem-2275	334	6	.	.	PUNCT
eurjchem-2275	335	1	spectrosc	spectrosc	PROPN
eurjchem-2275	335	2	.	.	PUNCT
eurjchem-2275	336	1	1997	1997	NUM
eurjchem-2275	336	2	,	,	PUNCT
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eurjchem-2275	336	4	,	,	PUNCT
eurjchem-2275	336	5	2425–2433	2425–2433	NUM
eurjchem-2275	336	6	.	.	PUNCT
eurjchem-2275	337	1	[	[	X
eurjchem-2275	337	2	18	18	NUM
eurjchem-2275	337	3	]	]	PUNCT
eurjchem-2275	337	4	.	.	PUNCT
eurjchem-2275	338	1	wendt	wendt	PROPN
eurjchem-2275	338	2	,	,	PUNCT
eurjchem-2275	338	3	m.	m.	NOUN
eurjchem-2275	338	4	a.	a.	PROPN
eurjchem-2275	338	5	;	;	PUNCT
eurjchem-2275	338	6	meiler	meiler	NOUN
eurjchem-2275	338	7	,	,	PUNCT
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eurjchem-2275	338	9	;	;	PUNCT
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eurjchem-2275	338	11	,	,	PUNCT
eurjchem-2275	338	12	f.	f.	PROPN
eurjchem-2275	338	13	;	;	PUNCT
eurjchem-2275	338	14	farrar	farrar	PROPN
eurjchem-2275	338	15	,	,	PUNCT
eurjchem-2275	338	16	t.	t.	PROPN
eurjchem-2275	338	17	c.	c.	PROPN
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eurjchem-2275	338	26	shift	shift	NOUN
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eurjchem-2275	338	29	.	.	PUNCT
eurjchem-2275	339	1	mol	mol	PROPN
eurjchem-2275	339	2	.	.	PUNCT
eurjchem-2275	340	1	phys	phy	NOUN
eurjchem-2275	340	2	.	.	PUNCT
eurjchem-2275	341	1	1998	1998	NUM
eurjchem-2275	341	2	,	,	PUNCT
eurjchem-2275	341	3	93	93	NUM
eurjchem-2275	341	4	,	,	PUNCT
eurjchem-2275	341	5	145–151	145–151	NUM
eurjchem-2275	341	6	.	.	PUNCT
eurjchem-2275	342	1	[	[	X
eurjchem-2275	342	2	19	19	NUM
eurjchem-2275	342	3	]	]	PUNCT
eurjchem-2275	342	4	.	.	PUNCT
eurjchem-2275	343	1	lee	lee	PROPN
eurjchem-2275	343	2	,	,	PUNCT
eurjchem-2275	343	3	b.	b.	PROPN
eurjchem-2275	343	4	;	;	PUNCT
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eurjchem-2275	343	6	,	,	PUNCT
eurjchem-2275	343	7	f.	f.	PROPN
eurjchem-2275	343	8	m.	m.	PROPN
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eurjchem-2275	343	12	protein	protein	NOUN
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eurjchem-2275	343	14	:	:	PUNCT
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eurjchem-2275	343	19	.	.	PUNCT
eurjchem-2275	344	1	j.	j.	PROPN
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eurjchem-2275	344	3	.	.	PUNCT
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eurjchem-2275	345	2	.	.	PUNCT
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eurjchem-2275	346	2	,	,	PUNCT
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eurjchem-2275	346	4	,	,	PUNCT
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eurjchem-2275	346	6	-	-	SYM
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eurjchem-2275	346	8	.	.	PUNCT
eurjchem-2275	347	1	[	[	X
eurjchem-2275	347	2	20	20	NUM
eurjchem-2275	347	3	]	]	PUNCT
eurjchem-2275	347	4	.	.	PUNCT
eurjchem-2275	348	1	richards	richards	PROPN
eurjchem-2275	348	2	,	,	PUNCT
eurjchem-2275	348	3	f.	f.	PROPN
eurjchem-2275	348	4	m.	m.	PROPN
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eurjchem-2275	348	6	,	,	PUNCT
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eurjchem-2275	348	13	.	.	PUNCT
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eurjchem-2275	349	2	.	.	PUNCT
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eurjchem-2275	350	2	.	.	PROPN
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eurjchem-2275	350	4	.	.	PUNCT
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eurjchem-2275	351	2	.	.	PUNCT
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eurjchem-2275	352	2	,	,	PUNCT
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eurjchem-2275	352	4	,	,	PUNCT
eurjchem-2275	352	5	151–176	151–176	NUM
eurjchem-2275	352	6	.	.	PUNCT
eurjchem-2275	353	1	[	[	X
eurjchem-2275	353	2	21	21	NUM
eurjchem-2275	353	3	]	]	PUNCT
eurjchem-2275	353	4	.	.	PUNCT
eurjchem-2275	354	1	connolly	connolly	PROPN
eurjchem-2275	354	2	,	,	PUNCT
eurjchem-2275	354	3	m.	m.	PROPN
eurjchem-2275	354	4	l.	l.	PROPN
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eurjchem-2275	354	8	calculation	calculation	NOUN
eurjchem-2275	354	9	.	.	PUNCT
eurjchem-2275	355	1	j.	j.	PROPN
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eurjchem-2275	355	3	.	.	PROPN
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eurjchem-2275	355	5	.	.	PUNCT
eurjchem-2275	356	1	1983	1983	NUM
eurjchem-2275	356	2	,	,	PUNCT
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eurjchem-2275	356	4	,	,	PUNCT
eurjchem-2275	356	5	548–558	548–558	NUM
eurjchem-2275	356	6	.	.	PUNCT
eurjchem-2275	357	1	[	[	X
eurjchem-2275	357	2	22	22	NUM
eurjchem-2275	357	3	]	]	PUNCT
eurjchem-2275	357	4	.	.	PUNCT
eurjchem-2275	358	1	krarup	krarup	PROPN
eurjchem-2275	358	2	,	,	PUNCT
eurjchem-2275	358	3	l.	l.	PROPN
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eurjchem-2275	358	5	;	;	PUNCT
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eurjchem-2275	358	7	,	,	PUNCT
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eurjchem-2275	358	10	;	;	PUNCT
eurjchem-2275	359	1	hovgaard	hovgaard	PROPN
eurjchem-2275	359	2	,	,	PUNCT
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eurjchem-2275	359	4	;	;	PUNCT
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eurjchem-2275	359	6	,	,	PUNCT
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eurjchem-2275	359	19	simulations	simulation	NOUN
eurjchem-2275	359	20	.	.	PUNCT
eurjchem-2275	360	1	pharm	pharm	NOUN
eurjchem-2275	360	2	.	.	PUNCT
eurjchem-2275	361	1	res	re	NOUN
eurjchem-2275	361	2	.	.	PROPN
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eurjchem-2275	362	2	,	,	PUNCT
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eurjchem-2275	362	4	,	,	PUNCT
eurjchem-2275	362	5	972–978	972–978	NUM
eurjchem-2275	362	6	.	.	PUNCT
eurjchem-2275	363	1	[	[	X
eurjchem-2275	363	2	23	23	NUM
eurjchem-2275	363	3	]	]	PUNCT
eurjchem-2275	363	4	.	.	PUNCT
eurjchem-2275	364	1	clark	clark	PROPN
eurjchem-2275	364	2	,	,	PUNCT
eurjchem-2275	364	3	d.	d.	PROPN
eurjchem-2275	364	4	e.	e.	PROPN
eurjchem-2275	364	5	rapid	rapid	ADJ
eurjchem-2275	364	6	calculation	calculation	NOUN
eurjchem-2275	364	7	of	of	ADP
eurjchem-2275	364	8	polar	polar	ADJ
eurjchem-2275	364	9	molecular	molecular	ADJ
eurjchem-2275	364	10	surface	surface	NOUN
eurjchem-2275	364	11	area	area	NOUN
eurjchem-2275	364	12	and	and	CCONJ
eurjchem-2275	364	13	its	its	PRON
eurjchem-2275	364	14	application	application	NOUN
eurjchem-2275	364	15	to	to	ADP
eurjchem-2275	364	16	the	the	DET
eurjchem-2275	364	17	prediction	prediction	NOUN
eurjchem-2275	364	18	of	of	ADP
eurjchem-2275	364	19	transport	transport	NOUN
eurjchem-2275	364	20	phenomena	phenomenon	NOUN
eurjchem-2275	364	21	.	.	PUNCT
eurjchem-2275	365	1	1	1	X
eurjchem-2275	365	2	.	.	X
eurjchem-2275	365	3	prediction	prediction	NOUN
eurjchem-2275	365	4	of	of	ADP
eurjchem-2275	365	5	intestinal	intestinal	ADJ
eurjchem-2275	365	6	absorption	absorption	NOUN
eurjchem-2275	365	7	.	.	PUNCT
eurjchem-2275	366	1	j.	j.	PROPN
eurjchem-2275	366	2	pharm	pharm	PROPN
eurjchem-2275	366	3	.	.	PUNCT
eurjchem-2275	367	1	sci	sci	PROPN
eurjchem-2275	367	2	.	.	PROPN
eurjchem-2275	367	3	1999	1999	NUM
eurjchem-2275	367	4	,	,	PUNCT
eurjchem-2275	367	5	88	88	NUM
eurjchem-2275	367	6	,	,	PUNCT
eurjchem-2275	367	7	807–814	807–814	NUM
eurjchem-2275	367	8	.	.	PUNCT
eurjchem-2275	368	1	[	[	X
eurjchem-2275	368	2	24	24	NUM
eurjchem-2275	368	3	]	]	PUNCT
eurjchem-2275	368	4	.	.	PUNCT
eurjchem-2275	369	1	topspin	topspin	NOUN
eurjchem-2275	369	2	;	;	PUNCT
eurjchem-2275	369	3	bruker	bruker	PROPN
eurjchem-2275	369	4	topspin	topspin	PROPN
eurjchem-2275	369	5	software	software	NOUN
eurjchem-2275	369	6	package	package	NOUN
eurjchem-2275	369	7	,	,	PUNCT
eurjchem-2275	369	8	(	(	PUNCT
eurjchem-2275	369	9	rrid	rrid	VERB
eurjchem-2275	369	10	:	:	PUNCT
eurjchem-2275	369	11	scr_014227	scr_014227	NUM
eurjchem-2275	369	12	)	)	PUNCT
eurjchem-2275	369	13	,	,	PUNCT
eurjchem-2275	369	14	https://www.bruker.com/products/mr/nmr/nmrsoftware/software/topspin/overview.html	https://www.bruker.com/products/mr/nmr/nmrsoftware/software/topspin/overview.html	PROPN
eurjchem-2275	369	15	(	(	PUNCT
eurjchem-2275	369	16	accessed	access	VERB
eurjchem-2275	369	17	april	april	PROPN
eurjchem-2275	369	18	10	10	NUM
eurjchem-2275	369	19	,	,	PUNCT
eurjchem-2275	369	20	2022	2022	NUM
eurjchem-2275	369	21	)	)	PUNCT
eurjchem-2275	369	22	.	.	PUNCT
eurjchem-2275	370	1	[	[	X
eurjchem-2275	370	2	25	25	NUM
eurjchem-2275	370	3	]	]	PUNCT
eurjchem-2275	370	4	.	.	PUNCT
eurjchem-2275	371	1	lim	lim	PROPN
eurjchem-2275	371	2	,	,	PUNCT
eurjchem-2275	371	3	v.	v.	PROPN
eurjchem-2275	371	4	t.	t.	PROPN
eurjchem-2275	371	5	;	;	PUNCT
eurjchem-2275	371	6	bayly	bayly	PROPN
eurjchem-2275	371	7	,	,	PUNCT
eurjchem-2275	371	8	c.	c.	PROPN
eurjchem-2275	371	9	i.	i.	PROPN
eurjchem-2275	371	10	;	;	PUNCT
eurjchem-2275	371	11	fusti	fusti	PROPN
eurjchem-2275	371	12	-	-	PUNCT
eurjchem-2275	371	13	molnar	molnar	PROPN
eurjchem-2275	371	14	,	,	PUNCT
eurjchem-2275	371	15	l.	l.	PROPN
eurjchem-2275	371	16	;	;	PUNCT
eurjchem-2275	371	17	mobley	mobley	PROPN
eurjchem-2275	371	18	,	,	PUNCT
eurjchem-2275	371	19	d.	d.	PROPN
eurjchem-2275	371	20	l.	l.	PROPN
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eurjchem-2275	371	22	the	the	DET
eurjchem-2275	371	23	conformational	conformational	ADJ
eurjchem-2275	371	24	equilibrium	equilibrium	NOUN
eurjchem-2275	371	25	of	of	ADP
eurjchem-2275	371	26	carboxylic	carboxylic	ADJ
eurjchem-2275	371	27	acid	acid	NOUN
eurjchem-2275	371	28	via	via	ADP
eurjchem-2275	371	29	quantum	quantum	ADJ
eurjchem-2275	371	30	mechanical	mechanical	ADJ
eurjchem-2275	371	31	and	and	CCONJ
eurjchem-2275	371	32	molecular	molecular	ADJ
eurjchem-2275	371	33	dynamics	dynamic	NOUN
eurjchem-2275	371	34	studies	study	NOUN
eurjchem-2275	371	35	on	on	ADP
eurjchem-2275	371	36	acetic	acetic	ADJ
eurjchem-2275	371	37	acid	acid	NOUN
eurjchem-2275	371	38	.	.	PUNCT
eurjchem-2275	372	1	j.	j.	PROPN
eurjchem-2275	372	2	chem	chem	PROPN
eurjchem-2275	372	3	.	.	PUNCT
eurjchem-2275	373	1	inf	inf	PROPN
eurjchem-2275	373	2	.	.	PROPN
eurjchem-2275	373	3	model	model	PROPN
eurjchem-2275	373	4	.	.	PROPN
eurjchem-2275	374	1	2019	2019	NUM
eurjchem-2275	374	2	,	,	PUNCT
eurjchem-2275	374	3	59	59	NUM
eurjchem-2275	374	4	,	,	PUNCT
eurjchem-2275	374	5	1957–1964	1957–1964	NUM
eurjchem-2275	374	6	.	.	PUNCT
eurjchem-2275	375	1	[	[	X
eurjchem-2275	375	2	26	26	NUM
eurjchem-2275	375	3	]	]	PUNCT
eurjchem-2275	375	4	.	.	PUNCT
eurjchem-2275	376	1	hoff	hoff	PROPN
eurjchem-2275	376	2	,	,	PUNCT
eurjchem-2275	376	3	a.	a.	PROPN
eurjchem-2275	376	4	;	;	PUNCT
eurjchem-2275	376	5	rath	rath	PROPN
eurjchem-2275	376	6	,	,	PUNCT
eurjchem-2275	376	7	n.	n.	NOUN
eurjchem-2275	376	8	;	;	PUNCT
eurjchem-2275	376	9	lisko	lisko	PROPN
eurjchem-2275	376	10	,	,	PUNCT
eurjchem-2275	376	11	j.	j.	PROPN
eurjchem-2275	376	12	;	;	PUNCT
eurjchem-2275	376	13	zeller	zeller	PROPN
eurjchem-2275	376	14	,	,	PUNCT
eurjchem-2275	376	15	m.	m.	NOUN
eurjchem-2275	376	16	;	;	PUNCT
eurjchem-2275	376	17	balendiran	balendiran	NOUN
eurjchem-2275	376	18	,	,	PUNCT
eurjchem-2275	376	19	g.	g.	PROPN
eurjchem-2275	376	20	k.	k.	PROPN
eurjchem-2275	376	21	signature	signature	PROPN
eurjchem-2275	376	22	of	of	ADP
eurjchem-2275	376	23	glycylglutamic	glycylglutamic	ADJ
eurjchem-2275	376	24	acid	acid	NOUN
eurjchem-2275	376	25	structure	structure	NOUN
eurjchem-2275	376	26	.	.	PUNCT
eurjchem-2275	377	1	int	int	PROPN
eurjchem-2275	377	2	j	j	PROPN
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eurjchem-2275	377	4	biophys	biophys	PROPN
eurjchem-2275	377	5	(	(	PUNCT
eurjchem-2275	377	6	alhambra	alhambra	PROPN
eurjchem-2275	377	7	)	)	PUNCT
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eurjchem-2275	377	9	,	,	PUNCT
eurjchem-2275	377	10	9	9	NUM
eurjchem-2275	377	11	,	,	PUNCT
eurjchem-2275	377	12	8–15	8–15	PROPN
eurjchem-2275	377	13	.	.	PUNCT
eurjchem-2275	378	1	[	[	X
eurjchem-2275	378	2	27	27	NUM
eurjchem-2275	378	3	]	]	PUNCT
eurjchem-2275	378	4	.	.	PUNCT
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eurjchem-2275	379	2	,	,	PUNCT
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eurjchem-2275	379	7	studies	study	NOUN
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eurjchem-2275	379	9	solute	solute	NOUN
eurjchem-2275	379	10	-	-	PUNCT
eurjchem-2275	379	11	solvent	solvent	ADJ
eurjchem-2275	379	12	interactions	interaction	NOUN
eurjchem-2275	379	13	.	.	PUNCT
eurjchem-2275	380	1	annu	annu	NOUN
eurjchem-2275	380	2	.	.	PUNCT
eurjchem-2275	381	1	rev	rev	PROPN
eurjchem-2275	381	2	.	.	PUNCT
eurjchem-2275	382	1	phys	phy	NOUN
eurjchem-2275	382	2	.	.	PUNCT
eurjchem-2275	383	1	chem	chem	PROPN
eurjchem-2275	383	2	.	.	PUNCT
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eurjchem-2275	384	2	,	,	PUNCT
eurjchem-2275	384	3	29	29	NUM
eurjchem-2275	384	4	,	,	PUNCT
eurjchem-2275	384	5	167–188	167–188	NUM
eurjchem-2275	384	6	.	.	PUNCT
eurjchem-2275	385	1	copyright	copyright	NOUN
eurjchem-2275	385	2	©	©	ADP
eurjchem-2275	385	3	2022	2022	NUM
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eurjchem-2275	385	5	authors	author	NOUN
eurjchem-2275	385	6	.	.	PUNCT
eurjchem-2275	386	1	this	this	DET
eurjchem-2275	386	2	work	work	NOUN
eurjchem-2275	386	3	is	be	AUX
eurjchem-2275	386	4	published	publish	VERB
eurjchem-2275	386	5	and	and	CCONJ
eurjchem-2275	386	6	licensed	license	VERB
eurjchem-2275	386	7	by	by	ADP
eurjchem-2275	386	8	atlanta	atlanta	PROPN
eurjchem-2275	386	9	publishing	publishing	PROPN
eurjchem-2275	386	10	house	house	PROPN
eurjchem-2275	386	11	llc	llc	PROPN
eurjchem-2275	386	12	,	,	PUNCT
eurjchem-2275	386	13	atlanta	atlanta	PROPN
eurjchem-2275	386	14	,	,	PUNCT
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eurjchem-2275	386	16	,	,	PUNCT
eurjchem-2275	386	17	usa	usa	PROPN
eurjchem-2275	386	18	.	.	PUNCT
eurjchem-2275	387	1	the	the	DET
eurjchem-2275	387	2	full	full	ADJ
eurjchem-2275	387	3	terms	term	NOUN
eurjchem-2275	387	4	of	of	ADP
eurjchem-2275	387	5	this	this	DET
eurjchem-2275	387	6	license	license	NOUN
eurjchem-2275	387	7	are	be	AUX
eurjchem-2275	387	8	available	available	ADJ
eurjchem-2275	387	9	at	at	ADP
eurjchem-2275	387	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2275	387	11	and	and	CCONJ
eurjchem-2275	387	12	incorporate	incorporate	VERB
eurjchem-2275	387	13	the	the	DET
eurjchem-2275	387	14	creative	creative	ADJ
eurjchem-2275	387	15	commons	common	NOUN
eurjchem-2275	387	16	attribution	attribution	NOUN
eurjchem-2275	387	17	-	-	PUNCT
eurjchem-2275	387	18	non	non	ADJ
eurjchem-2275	387	19	commercial	commercial	NOUN
eurjchem-2275	387	20	(	(	PUNCT
eurjchem-2275	387	21	cc	cc	NOUN
eurjchem-2275	387	22	by	by	ADP
eurjchem-2275	387	23	nc	nc	PROPN
eurjchem-2275	387	24	)	)	PUNCT
eurjchem-2275	387	25	(	(	PUNCT
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eurjchem-2275	387	27	,	,	PUNCT
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eurjchem-2275	387	29	)	)	PUNCT
eurjchem-2275	387	30	license	license	NOUN
eurjchem-2275	387	31	(	(	PUNCT
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eurjchem-2275	387	33	)	)	PUNCT
eurjchem-2275	387	34	.	.	PUNCT
eurjchem-2275	388	1	by	by	ADP
eurjchem-2275	388	2	accessing	access	VERB
eurjchem-2275	388	3	the	the	DET
eurjchem-2275	388	4	work	work	NOUN
eurjchem-2275	388	5	,	,	PUNCT
eurjchem-2275	388	6	you	you	PRON
eurjchem-2275	388	7	hereby	hereby	ADV
eurjchem-2275	388	8	accept	accept	VERB
eurjchem-2275	388	9	the	the	DET
eurjchem-2275	388	10	terms	term	NOUN
eurjchem-2275	388	11	.	.	PUNCT
eurjchem-2275	389	1	this	this	PRON
eurjchem-2275	389	2	is	be	AUX
eurjchem-2275	389	3	an	an	DET
eurjchem-2275	389	4	open	open	ADJ
eurjchem-2275	389	5	access	access	NOUN
eurjchem-2275	389	6	article	article	NOUN
eurjchem-2275	389	7	distributed	distribute	VERB
eurjchem-2275	389	8	under	under	ADP
eurjchem-2275	389	9	the	the	DET
eurjchem-2275	389	10	terms	term	NOUN
eurjchem-2275	389	11	and	and	CCONJ
eurjchem-2275	389	12	conditions	condition	NOUN
eurjchem-2275	389	13	of	of	ADP
eurjchem-2275	389	14	the	the	DET
eurjchem-2275	389	15	cc	cc	PROPN
eurjchem-2275	389	16	by	by	ADP
eurjchem-2275	389	17	nc	nc	PROPN
eurjchem-2275	389	18	license	license	PROPN
eurjchem-2275	389	19	,	,	PUNCT
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eurjchem-2275	389	21	permits	permit	VERB
eurjchem-2275	389	22	unrestricted	unrestricted	ADJ
eurjchem-2275	389	23	non	non	ADJ
eurjchem-2275	389	24	-	-	ADJ
eurjchem-2275	389	25	commercial	commercial	ADJ
eurjchem-2275	389	26	use	use	NOUN
eurjchem-2275	389	27	,	,	PUNCT
eurjchem-2275	389	28	distribution	distribution	NOUN
eurjchem-2275	389	29	,	,	PUNCT
eurjchem-2275	389	30	and	and	CCONJ
eurjchem-2275	389	31	reproduction	reproduction	NOUN
eurjchem-2275	389	32	in	in	ADP
eurjchem-2275	389	33	any	any	DET
eurjchem-2275	389	34	medium	medium	NOUN
eurjchem-2275	389	35	,	,	PUNCT
eurjchem-2275	389	36	provided	provide	VERB
eurjchem-2275	389	37	the	the	DET
eurjchem-2275	389	38	original	original	ADJ
eurjchem-2275	389	39	work	work	NOUN
eurjchem-2275	389	40	is	be	AUX
eurjchem-2275	389	41	properly	properly	ADV
eurjchem-2275	389	42	cited	cite	VERB
eurjchem-2275	389	43	without	without	ADP
eurjchem-2275	389	44	any	any	DET
eurjchem-2275	389	45	further	further	ADJ
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eurjchem-2275	389	47	from	from	ADP
eurjchem-2275	389	48	atlanta	atlanta	PROPN
eurjchem-2275	389	49	publishing	publishing	PROPN
eurjchem-2275	389	50	house	house	PROPN
eurjchem-2275	389	51	llc	llc	PROPN
eurjchem-2275	389	52	(	(	PUNCT
eurjchem-2275	389	53	european	european	PROPN
eurjchem-2275	389	54	journal	journal	PROPN
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eurjchem-2275	389	57	)	)	PUNCT
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eurjchem-2275	390	3	,	,	PUNCT
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eurjchem-2275	390	8	permitted	permit	VERB
eurjchem-2275	390	9	which	which	PRON
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eurjchem-2275	390	12	comply	comply	VERB
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eurjchem-2275	390	14	these	these	DET
eurjchem-2275	390	15	terms	term	NOUN
eurjchem-2275	390	16	.	.	PUNCT
eurjchem-2275	391	1	permissions	permission	NOUN
eurjchem-2275	391	2	for	for	ADP
eurjchem-2275	391	3	commercial	commercial	ADJ
eurjchem-2275	391	4	use	use	NOUN
eurjchem-2275	391	5	of	of	ADP
eurjchem-2275	391	6	this	this	DET
eurjchem-2275	391	7	work	work	NOUN
eurjchem-2275	391	8	beyond	beyond	ADP
eurjchem-2275	391	9	the	the	DET
eurjchem-2275	391	10	scope	scope	NOUN
eurjchem-2275	391	11	of	of	ADP
eurjchem-2275	391	12	the	the	DET
eurjchem-2275	391	13	license	license	NOUN
eurjchem-2275	391	14	(	(	PUNCT
eurjchem-2275	391	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2275	391	16	)	)	PUNCT
eurjchem-2275	391	17	are	be	AUX
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eurjchem-2275	391	19	by	by	ADP
eurjchem-2275	391	20	atlanta	atlanta	PROPN
eurjchem-2275	391	21	publishing	publishing	PROPN
eurjchem-2275	391	22	house	house	PROPN
eurjchem-2275	391	23	llc	llc	PROPN
eurjchem-2275	391	24	(	(	PUNCT
eurjchem-2275	391	25	european	european	PROPN
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eurjchem-2275	392	3	https://wavefun.com/	https://wavefun.com/	PROPN
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eurjchem-2275	392	9	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2275	392	10	1	1	NUM
eurjchem-2275	392	11	.	.	PUNCT
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eurjchem-2275	392	16	2.1	2.1	NUM
eurjchem-2275	392	17	.	.	PUNCT
eurjchem-2275	393	1	molecular	molecular	ADJ
eurjchem-2275	393	2	computations	computation	NOUN
eurjchem-2275	393	3	2.2	2.2	NUM
eurjchem-2275	393	4	.	.	PUNCT
eurjchem-2275	394	1	nmr	nmr	NOUN
eurjchem-2275	394	2	measurements	measurement	NOUN
eurjchem-2275	394	3	of	of	ADP
eurjchem-2275	394	4	fibric	fibric	ADJ
eurjchem-2275	394	5	acids	acid	NOUN
eurjchem-2275	394	6	3	3	NUM
eurjchem-2275	394	7	.	.	PUNCT
eurjchem-2275	394	8	results	result	NOUN
eurjchem-2275	394	9	3.1	3.1	NUM
eurjchem-2275	394	10	.	.	PUNCT
eurjchem-2275	394	11	fibric	fibric	ADJ
eurjchem-2275	394	12	acid	acid	NOUN
eurjchem-2275	394	13	conformers	conformer	NOUN
eurjchem-2275	394	14	3.2	3.2	NUM
eurjchem-2275	394	15	.	.	PUNCT
eurjchem-2275	395	1	theoretical	theoretical	ADJ
eurjchem-2275	395	2	and	and	CCONJ
eurjchem-2275	395	3	experimental	experimental	ADJ
eurjchem-2275	395	4	nmr	nmr	NOUN
eurjchem-2275	395	5	spectral	spectral	ADJ
eurjchem-2275	395	6	correlation	correlation	NOUN
eurjchem-2275	395	7	4	4	NUM
eurjchem-2275	395	8	.	.	PUNCT
eurjchem-2275	395	9	discussion	discussion	NOUN
eurjchem-2275	395	10	5	5	NUM
eurjchem-2275	395	11	.	.	PUNCT
eurjchem-2275	396	1	conclusions	conclusion	NOUN
eurjchem-2275	396	2	acknowledgements	acknowledgement	VERB
eurjchem-2275	396	3	disclosure	disclosure	NOUN
eurjchem-2275	396	4	statement	statement	NOUN
eurjchem-2275	396	5	funding	fund	VERB
eurjchem-2275	396	6	credit	credit	NOUN
eurjchem-2275	396	7	authorship	authorship	NOUN
eurjchem-2275	396	8	contribution	contribution	NOUN
eurjchem-2275	396	9	statement	statement	NOUN
eurjchem-2275	396	10	orcid	orcid	NOUN
eurjchem-2275	396	11	and	and	CCONJ
eurjchem-2275	396	12	email	email	NOUN
eurjchem-2275	396	13	references	reference	NOUN
eurjchem-2275	396	14	printfield10	printfield10	PROPN
eurjchem-2275	396	15	:	:	PUNCT
eurjchem-2275	396	16	printfield11	printfield11	NOUN
eurjchem-2275	396	17	:	:	PUNCT
eurjchem-2275	396	18	printfield12	printfield12	PROPN
eurjchem-2275	396	19	:	:	PUNCT
eurjchem-2275	396	20	printfield13	printfield13	VERB
eurjchem-2275	396	21	:	:	PUNCT
eurjchem-2275	396	22	printfield14	printfield14	NOUN
eurjchem-2275	396	23	:	:	PUNCT
eurjchem-2275	396	24	printfield15	printfield15	NOUN
eurjchem-2275	396	25	:	:	PUNCT
eurjchem-2275	396	26	printfield16	printfield16	ADJ
eurjchem-2275	396	27	:	:	PUNCT
eurjchem-2275	396	28	printfield17	printfield17	NOUN
eurjchem-2275	396	29	:	:	PUNCT
eurjchem-2275	396	30	printfield18	printfield18	NOUN
eurjchem-2275	396	31	:	:	PUNCT
eurjchem-2275	396	32	printfield19	printfield19	NOUN
eurjchem-2275	396	33	:	:	PUNCT
eurjchem-2275	396	34	printfield20	printfield20	PROPN
eurjchem-2275	396	35	:	:	PUNCT
eurjchem-2275	396	36	printfield21	printfield21	ADJ
eurjchem-2275	396	37	:	:	PUNCT
eurjchem-2275	396	38	printfield22	printfield22	NOUN
eurjchem-2275	396	39	:	:	PUNCT
eurjchem-2275	396	40	printfield23	printfield23	NOUN
eurjchem-2275	396	41	:	:	PUNCT
eurjchem-2275	396	42	printfield24	printfield24	NOUN
eurjchem-2275	396	43	:	:	PUNCT
eurjchem-2275	396	44	printfield25	printfield25	NOUN
eurjchem-2275	396	45	:	:	PUNCT
eurjchem-2275	396	46	printfield26	printfield26	ADJ
eurjchem-2275	396	47	:	:	PUNCT
eurjchem-2275	396	48	printfield27	printfield27	NOUN
eurjchem-2275	396	49	:	:	PUNCT
eurjchem-2275	396	50	printfield28	printfield28	NOUN
eurjchem-2275	396	51	:	:	PUNCT
eurjchem-2275	396	52	printfield29	printfield29	ADV
eurjchem-2275	396	53	:	:	PUNCT